M7N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3 | C2 | sing | 1.53Å | 1.52Å | |
C | C1 | sing | 1.53Å | 1.53Å | |
C2 | N | sing | 1.47Å | 1.48Å | |
C1 | N | sing | 1.47Å | 1.51Å | |
N | C4 | sing | 1.47Å | 1.48Å | |
C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
C20 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | C5 | sing | 1.51Å | 1.51Å | |
C19 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
C8 | C9 | sing | 1.51Å | 1.51Å | |
C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
C9 | N1 | sing | 1.46Å | 1.46Å | |
O | C10 | doub | 1.22Å | 1.23Å | |
N1 | C10 | sing | 1.35Å | 1.35Å | |
C10 | N2 | sing | 1.35Å | 1.37Å | |
N2 | C11 | sing | 1.47Å | 1.47Å | |
N2 | C13 | sing | 1.47Å | 1.47Å | |
C11 | C12 | sing | 1.53Å | 1.53Å | |
C13 | C14 | sing | 1.53Å | 1.51Å | |
C12 | N3 | sing | 1.47Å | 1.47Å | |
C14 | N3 | sing | 1.47Å | 1.46Å | |
N3 | C15 | sing | 1.38Å | 1.38Å | |
C15 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
C15 | N5 | sing | 1.33Å | 1.35Å | Aromatic |
N4 | C16 | sing | 1.32Å | 1.34Å | Aromatic |
N5 | C18 | doub | 1.32Å | 1.34Å | Aromatic |
C16 | C17 | doub | 1.39Å | 1.37Å | Aromatic |
C18 | C17 | sing | 1.39Å | 1.37Å | Aromatic |
C7 | H1 | sing | 1.08Å | 1.08Å | |
C6 | H2 | sing | 1.08Å | 1.08Å | |
C4 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C2 | H8 | sing | 1.09Å | 1.10Å | |
C2 | H9 | sing | 1.09Å | 1.10Å | |
C1 | H10 | sing | 1.09Å | 1.10Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C9 | H12 | sing | 1.09Å | 1.10Å | |
C9 | H13 | sing | 1.09Å | 1.10Å | |
C11 | H14 | sing | 1.09Å | 1.10Å | |
C11 | H15 | sing | 1.09Å | 1.10Å | |
N1 | H16 | sing | 0.97Å | 1.00Å | |
C12 | H17 | sing | 1.09Å | 1.10Å | |
C12 | H18 | sing | 1.09Å | 1.10Å | |
C13 | H19 | sing | 1.09Å | 1.10Å | |
C13 | H20 | sing | 1.09Å | 1.10Å | |
C14 | H21 | sing | 1.09Å | 1.10Å | |
C14 | H22 | sing | 1.09Å | 1.10Å | |
C16 | H23 | sing | 1.08Å | 1.08Å | |
C17 | H24 | sing | 1.08Å | 1.08Å | |
C18 | H25 | sing | 1.08Å | 1.08Å | |
C19 | H26 | sing | 1.08Å | 1.08Å | |
C20 | H27 | sing | 1.08Å | 1.08Å | |
C | H29 | sing | 1.09Å | 1.10Å | |
C | H30 | sing | 1.09Å | 1.10Å | |
C | H31 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C2 | N | 114.1° | 109.5° |
C2 | C3 | H5 | 109.5° | 109.5° |
C2 | C3 | H6 | 109.5° | 109.5° |
C2 | C3 | H7 | 109.5° | 109.5° |
C3 | C2 | H8 | 108.3° | 109.5° |
C3 | C2 | H9 | 108.3° | 109.5° |
C | C1 | N | 115.6° | 109.5° |
C | C1 | H10 | 107.9° | 109.5° |
C | C1 | H11 | 107.9° | 109.5° |
C1 | C | H29 | 109.5° | 109.5° |
C1 | C | H30 | 109.5° | 109.5° |
C1 | C | H31 | 109.4° | 109.5° |
C2 | N | C1 | 118.5° | 111.0° |
C2 | N | C4 | 111.7° | 111.0° |
N | C2 | H8 | 108.3° | 109.5° |
N | C2 | H9 | 108.3° | 109.4° |
C1 | N | C4 | 111.8° | 111.0° |
N | C1 | H10 | 107.9° | 109.5° |
N | C1 | H11 | 107.9° | 109.5° |
N | C4 | C5 | 115.0° | 109.4° |
N | C4 | H3 | 108.1° | 109.5° |
N | C4 | H4 | 108.1° | 109.5° |
C19 | C20 | C5 | 121.0° | 120.0° |
C20 | C19 | C8 | 121.1° | 120.0° |
C20 | C19 | H26 | 119.5° | 120.0° |
C19 | C20 | H27 | 119.5° | 120.0° |
C20 | C5 | C4 | 120.9° | 120.0° |
C20 | C5 | C6 | 118.0° | 120.0° |
C5 | C20 | H27 | 119.5° | 120.0° |
C4 | C5 | C6 | 120.9° | 120.0° |
C5 | C4 | H3 | 108.0° | 109.5° |
C5 | C4 | H4 | 108.1° | 109.5° |
C19 | C8 | C9 | 119.8° | 120.0° |
C19 | C8 | C7 | 118.1° | 120.0° |
C8 | C19 | H26 | 119.4° | 120.0° |
C5 | C6 | C7 | 120.9° | 120.0° |
C5 | C6 | H2 | 119.5° | 120.0° |
C9 | C8 | C7 | 122.0° | 120.0° |
C8 | C9 | N1 | 115.2° | 109.5° |
C8 | C9 | H12 | 108.0° | 109.4° |
C8 | C9 | H13 | 108.0° | 109.5° |
C8 | C7 | C6 | 120.8° | 120.0° |
C8 | C7 | H1 | 119.6° | 120.0° |
C6 | C7 | H1 | 119.5° | 120.0° |
C7 | C6 | H2 | 119.6° | 120.0° |
C9 | N1 | C10 | 120.1° | 120.0° |
N1 | C9 | H12 | 108.1° | 109.5° |
N1 | C9 | H13 | 108.1° | 109.5° |
C9 | N1 | H16 | 120.0° | 120.0° |
O | C10 | N1 | 122.3° | 120.0° |
O | C10 | N2 | 121.6° | 120.0° |
N1 | C10 | N2 | 116.1° | 120.0° |
C10 | N1 | H16 | 119.9° | 120.0° |
C10 | N2 | C11 | 119.1° | 120.9° |
C10 | N2 | C13 | 119.7° | 120.9° |
C11 | N2 | C13 | 111.8° | 118.2° |
N2 | C11 | C12 | 110.4° | 108.5° |
N2 | C11 | H14 | 109.3° | 109.6° |
N2 | C11 | H15 | 109.3° | 109.8° |
N2 | C13 | C14 | 110.1° | 108.5° |
N2 | C13 | H19 | 109.3° | 109.6° |
N2 | C13 | H20 | 109.3° | 109.8° |
C11 | C12 | N3 | 110.7° | 109.3° |
C12 | C11 | H14 | 109.2° | 109.6° |
C12 | C11 | H15 | 109.2° | 109.7° |
C11 | C12 | H17 | 109.2° | 109.5° |
C11 | C12 | H18 | 109.2° | 109.5° |
C13 | C14 | N3 | 110.3° | 109.3° |
C14 | C13 | H19 | 109.3° | 109.6° |
C14 | C13 | H20 | 109.3° | 109.6° |
C13 | C14 | H21 | 109.3° | 109.5° |
C13 | C14 | H22 | 109.3° | 109.5° |
C12 | N3 | C14 | 109.4° | 111.3° |
C12 | N3 | C15 | 121.7° | 111.0° |
N3 | C12 | H17 | 109.2° | 109.5° |
N3 | C12 | H18 | 109.2° | 109.5° |
C14 | N3 | C15 | 121.4° | 111.0° |
N3 | C14 | H21 | 109.3° | 109.5° |
N3 | C14 | H22 | 109.3° | 109.5° |
N3 | C15 | N4 | 116.9° | 119.3° |
N3 | C15 | N5 | 116.9° | 119.2° |
N4 | C15 | N5 | 126.1° | 121.5° |
C15 | N4 | C16 | 115.2° | 120.8° |
C15 | N5 | C18 | 115.3° | 120.7° |
N4 | C16 | C17 | 123.6° | 119.2° |
N4 | C16 | H23 | 118.2° | 120.5° |
N5 | C18 | C17 | 123.6° | 119.2° |
N5 | C18 | H25 | 118.2° | 120.4° |
C16 | C17 | C18 | 116.2° | 118.5° |
C17 | C16 | H23 | 118.2° | 120.3° |
C16 | C17 | H24 | 121.9° | 120.8° |
C18 | C17 | H24 | 121.9° | 120.7° |
C17 | C18 | H25 | 118.2° | 120.4° |
H3 | C4 | H4 | 109.5° | 109.5° |
H5 | C3 | H6 | 109.5° | 109.4° |
H5 | C3 | H7 | 109.5° | 109.5° |
H6 | C3 | H7 | 109.4° | 109.4° |
H8 | C2 | H9 | 109.5° | 109.4° |
H10 | C1 | H11 | 109.5° | 109.4° |
H12 | C9 | H13 | 109.4° | 109.4° |
H14 | C11 | H15 | 109.5° | 109.6° |
H17 | C12 | H18 | 109.5° | 109.5° |
H19 | C13 | H20 | 109.5° | 109.7° |
H21 | C14 | H22 | 109.4° | 109.5° |
H29 | C | H30 | 109.5° | 109.5° |
H29 | C | H31 | 109.5° | 109.5° |
H30 | C | H31 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C2 | N | H8 | 120.7° | 120.0° |
C3 | C2 | N | H9 | 120.7° | 120.1° |
C3 | C2 | N | C1 | 62.4° | 66.0° |
C3 | C2 | N | C4 | 165.5° | 170.1° |
C2 | C3 | H5 | H6 | 120.0° | 120.0° |
C2 | C3 | H5 | H7 | 120.0° | 120.0° |
C2 | C3 | H6 | H7 | 120.0° | 120.0° |
C3 | C2 | H8 | H9 | 117.9° | 120.1° |
C | C1 | N | C2 | 14.4° | 164.6° |
C | C1 | N | H10 | 120.9° | 120.0° |
C | C1 | N | H11 | 120.9° | 120.0° |
C | C1 | N | C4 | 117.6° | 71.5° |
C | C1 | H10 | H11 | 117.2° | 120.0° |
C1 | C | H29 | H30 | 120.0° | 120.1° |
C1 | C | H29 | H31 | 120.0° | 120.0° |
C1 | C | H30 | H31 | 120.0° | 120.0° |
C2 | N | C1 | C4 | 132.0° | 124.0° |
C2 | N | C4 | C5 | 56.1° | 75.4° |
C2 | N | C4 | H3 | 176.9° | 44.6° |
C2 | N | C4 | H4 | 64.7° | 164.6° |
N | C2 | C3 | H5 | 180.0° | 60.0° |
N | C2 | C3 | H6 | 60.0° | 60.0° |
N | C2 | C3 | H7 | 60.0° | 180.0° |
N | C2 | H8 | H9 | 117.9° | 119.9° |
C2 | N | C1 | H10 | 135.3° | 44.6° |
C2 | N | C1 | H11 | 106.5° | 75.4° |
C1 | N | C4 | C5 | 79.3° | 160.6° |
C1 | N | C4 | H3 | 41.5° | 79.4° |
C1 | N | C4 | H4 | 159.9° | 40.7° |
C1 | N | C2 | H8 | 176.9° | 54.0° |
C1 | N | C2 | H9 | 58.3° | 173.9° |
N | C1 | H10 | H11 | 117.2° | 120.0° |
N | C1 | C | H29 | 180.0° | 174.8° |
N | C1 | C | H30 | 60.0° | 65.1° |
N | C1 | C | H31 | 60.0° | 54.8° |
N | C4 | C5 | C20 | 57.4° | 95.2° |
N | C4 | C5 | H3 | 120.8° | 120.0° |
N | C4 | C5 | H4 | 120.8° | 120.0° |
N | C4 | C5 | C6 | 127.3° | 84.7° |
N | C4 | H3 | H4 | 117.5° | 120.0° |
C4 | N | C2 | H8 | 44.8° | 69.9° |
C4 | N | C2 | H9 | 73.8° | 50.0° |
C4 | N | C1 | H10 | 3.3° | 168.5° |
C4 | N | C1 | H11 | 121.5° | 48.6° |
C19 | C20 | C5 | H27 | 180.0° | 179.9° |
C19 | C20 | C5 | C4 | 176.0° | 179.8° |
C20 | C19 | C8 | H26 | 180.0° | 179.9° |
C19 | C20 | C5 | C6 | 0.6° | 0.1° |
C20 | C19 | C8 | C9 | 174.2° | 180.0° |
C20 | C19 | C8 | C7 | 1.1° | 0.1° |
C20 | C5 | C4 | C6 | 175.3° | 179.9° |
C5 | C20 | C19 | C8 | 0.1° | 0.1° |
C20 | C5 | C6 | C7 | 0.4° | 0.1° |
C20 | C5 | C6 | H2 | 179.6° | 180.0° |
C20 | C5 | C4 | H3 | 63.4° | 24.7° |
C20 | C5 | C4 | H4 | 178.2° | 144.8° |
C5 | C20 | C19 | H26 | 179.9° | 179.8° |
C4 | C5 | C6 | C7 | 175.8° | 179.9° |
C4 | C5 | C6 | H2 | 4.2° | 0.0° |
C5 | C4 | H3 | H4 | 117.5° | 120.0° |
C4 | C5 | C20 | H27 | 4.0° | 0.1° |
C19 | C8 | C9 | C7 | 175.1° | 179.9° |
C19 | C8 | C7 | C6 | 1.3° | 0.4° |
C19 | C8 | C9 | N1 | 164.5° | 90.0° |
C19 | C8 | C7 | H1 | 178.7° | 180.0° |
C19 | C8 | C9 | H12 | 74.6° | 30.1° |
C19 | C8 | C9 | H13 | 43.6° | 150.0° |
C8 | C19 | C20 | H27 | 179.9° | 180.0° |
C5 | C6 | C7 | C8 | 0.5° | 0.4° |
C5 | C6 | C7 | H2 | 180.0° | 179.9° |
C5 | C6 | C7 | H1 | 179.5° | 180.0° |
C6 | C5 | C4 | H3 | 111.9° | 155.3° |
C6 | C5 | C4 | H4 | 6.5° | 35.3° |
C6 | C5 | C20 | H27 | 179.4° | 180.0° |
C9 | C8 | C7 | C6 | 173.9° | 179.7° |
C8 | C9 | N1 | H12 | 120.8° | 120.0° |
C8 | C9 | N1 | H13 | 120.8° | 120.1° |
C8 | C9 | N1 | C10 | 151.8° | 180.0° |
C9 | C8 | C7 | H1 | 6.1° | 0.1° |
C8 | C9 | H12 | H13 | 117.4° | 120.0° |
C8 | C9 | N1 | H16 | 28.2° | 0.0° |
C9 | C8 | C19 | H26 | 5.7° | 0.1° |
C8 | C7 | C6 | H1 | 180.0° | 179.6° |
C7 | C8 | C9 | N1 | 20.4° | 89.9° |
C8 | C7 | C6 | H2 | 179.5° | 179.7° |
C7 | C8 | C9 | H12 | 100.5° | 150.0° |
C7 | C8 | C9 | H13 | 141.2° | 30.1° |
C7 | C8 | C19 | H26 | 179.0° | 180.0° |
C9 | N1 | C10 | O | 20.9° | 5.3° |
C9 | N1 | C10 | H16 | 180.0° | 180.0° |
C9 | N1 | C10 | N2 | 157.8° | 174.7° |
N1 | C9 | H12 | H13 | 117.4° | 120.0° |
O | C10 | N1 | N2 | 178.7° | 179.9° |
O | C10 | N2 | C11 | 25.0° | 5.3° |
O | C10 | N2 | C13 | 118.8° | 174.7° |
O | C10 | N1 | H16 | 159.1° | 174.7° |
N1 | C10 | N2 | C11 | 153.7° | 174.7° |
N1 | C10 | N2 | C13 | 62.5° | 5.4° |
C10 | N1 | C9 | H12 | 30.9° | 60.0° |
C10 | N1 | C9 | H13 | 87.4° | 60.0° |
C10 | N2 | C11 | C13 | 146.5° | 180.0° |
C10 | N2 | C11 | C12 | 159.3° | 128.8° |
C10 | N2 | C13 | C14 | 157.6° | 128.9° |
C10 | N2 | C11 | H14 | 80.6° | 9.1° |
C10 | N2 | C11 | H15 | 39.1° | 111.3° |
N2 | C10 | N1 | H16 | 22.2° | 5.2° |
C10 | N2 | C13 | H19 | 37.5° | 111.5° |
C10 | N2 | C13 | H20 | 82.3° | 9.0° |
N2 | C11 | C12 | H14 | 120.2° | 119.7° |
N2 | C11 | C12 | H15 | 120.2° | 119.9° |
C11 | N2 | C13 | C14 | 56.1° | 51.2° |
N2 | C11 | C12 | N3 | 55.6° | 53.8° |
N2 | C11 | H14 | H15 | 119.6° | 120.6° |
N2 | C11 | C12 | H17 | 175.8° | 173.8° |
N2 | C11 | C12 | H18 | 64.6° | 66.1° |
C11 | N2 | C13 | H19 | 176.2° | 68.5° |
C11 | N2 | C13 | H20 | 64.0° | 171.0° |
C13 | N2 | C11 | C12 | 54.2° | 51.2° |
N2 | C13 | C14 | H19 | 120.1° | 119.7° |
N2 | C13 | C14 | H20 | 120.1° | 119.9° |
N2 | C13 | C14 | N3 | 59.2° | 53.8° |
C13 | N2 | C11 | H14 | 65.9° | 170.9° |
C13 | N2 | C11 | H15 | 174.4° | 68.7° |
N2 | C13 | H19 | H20 | 119.7° | 120.6° |
N2 | C13 | C14 | H21 | 61.0° | 66.2° |
N2 | C13 | C14 | H22 | 179.3° | 173.8° |
C11 | C12 | N3 | H17 | 120.2° | 119.9° |
C11 | C12 | N3 | H18 | 120.2° | 120.0° |
C11 | C12 | N3 | C14 | 58.8° | 63.1° |
C11 | C12 | N3 | C15 | 151.2° | 172.7° |
C12 | C11 | H14 | H15 | 119.5° | 120.4° |
C11 | C12 | H17 | H18 | 119.4° | 120.1° |
C13 | C14 | N3 | C12 | 60.7° | 63.1° |
C13 | C14 | N3 | H21 | 120.1° | 120.0° |
C13 | C14 | N3 | H22 | 120.1° | 120.0° |
C13 | C14 | N3 | C15 | 149.2° | 172.8° |
C14 | C13 | H19 | H20 | 119.7° | 120.4° |
C13 | C14 | H21 | H22 | 119.6° | 120.1° |
C12 | N3 | C14 | C15 | 150.0° | 124.1° |
C12 | N3 | C15 | N4 | 4.4° | 180.0° |
C12 | N3 | C15 | N5 | 172.6° | 0.3° |
N3 | C12 | C11 | H14 | 64.6° | 173.6° |
N3 | C12 | C11 | H15 | 175.7° | 66.1° |
N3 | C12 | H17 | H18 | 119.4° | 120.1° |
C12 | N3 | C14 | H21 | 59.4° | 56.9° |
C12 | N3 | C14 | H22 | 179.1° | 176.9° |
C14 | N3 | C15 | N4 | 141.9° | 55.7° |
C14 | N3 | C15 | N5 | 41.1° | 124.6° |
C14 | N3 | C12 | H17 | 179.0° | 177.0° |
C14 | N3 | C12 | H18 | 61.4° | 56.8° |
N3 | C14 | C13 | H19 | 179.3° | 65.9° |
N3 | C14 | C13 | H20 | 60.9° | 173.7° |
N3 | C14 | H21 | H22 | 119.6° | 120.1° |
N3 | C15 | N4 | N5 | 176.7° | 179.8° |
N3 | C15 | N4 | C16 | 176.8° | 179.7° |
N3 | C15 | N5 | C18 | 176.6° | 179.7° |
C15 | N3 | C12 | H17 | 31.1° | 52.8° |
C15 | N3 | C12 | H18 | 88.6° | 67.3° |
C15 | N3 | C14 | H21 | 90.6° | 67.3° |
C15 | N3 | C14 | H22 | 29.1° | 52.8° |
N4 | C15 | N5 | C18 | 0.1° | 0.1° |
C15 | N4 | C16 | C17 | 0.2° | 0.0° |
C15 | N4 | C16 | H23 | 179.9° | 180.0° |
N5 | C15 | N4 | C16 | 0.1° | 0.1° |
C15 | N5 | C18 | C17 | 0.3° | 0.1° |
C15 | N5 | C18 | H25 | 179.7° | 180.0° |
N4 | C16 | C17 | H23 | 180.0° | 179.9° |
N4 | C16 | C17 | C18 | 0.0° | 0.1° |
N4 | C16 | C17 | H24 | 180.0° | 180.0° |
N5 | C18 | C17 | C16 | 0.3° | 0.1° |
N5 | C18 | C17 | H25 | 180.0° | 179.9° |
N5 | C18 | C17 | H24 | 179.7° | 179.9° |
C16 | C17 | C18 | H24 | 180.0° | 180.0° |
C16 | C17 | C18 | H25 | 179.7° | 180.0° |
C18 | C17 | C16 | H23 | 180.0° | 180.0° |
H1 | C7 | C6 | H2 | 0.5° | 0.1° |
H5 | C3 | H6 | H7 | 120.0° | 120.0° |
H5 | C3 | C2 | H8 | 59.3° | 60.0° |
H5 | C3 | C2 | H9 | 59.3° | 180.0° |
H6 | C3 | C2 | H8 | 60.7° | 180.0° |
H6 | C3 | C2 | H9 | 179.3° | 60.0° |
H7 | C3 | C2 | H8 | 179.3° | 60.1° |
H7 | C3 | C2 | H9 | 60.7° | 59.9° |
H10 | C1 | C | H29 | 59.1° | 54.8° |
H10 | C1 | C | H30 | 60.9° | 174.9° |
H10 | C1 | C | H31 | 179.1° | 65.2° |
H11 | C1 | C | H29 | 59.1° | 65.1° |
H11 | C1 | C | H30 | 179.1° | 54.9° |
H11 | C1 | C | H31 | 60.9° | 174.9° |
H12 | C9 | N1 | H16 | 149.1° | 120.0° |
H13 | C9 | N1 | H16 | 92.6° | 120.1° |
H14 | C11 | C12 | H17 | 55.6° | 66.5° |
H14 | C11 | C12 | H18 | 175.3° | 53.6° |
H15 | C11 | C12 | H17 | 64.1° | 53.9° |
H15 | C11 | C12 | H18 | 55.6° | 174.0° |
H19 | C13 | C14 | H21 | 59.1° | 174.2° |
H19 | C13 | C14 | H22 | 60.6° | 54.1° |
H20 | C13 | C14 | H21 | 179.0° | 53.8° |
H20 | C13 | C14 | H22 | 59.2° | 66.3° |
H23 | C16 | C17 | H24 | 0.1° | 0.0° |
H24 | C17 | C18 | H25 | 0.3° | 0.0° |
H26 | C19 | C20 | H27 | 0.1° | 0.1° |
H29 | C | H30 | H31 | 120.0° | 120.0° |