VH5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CL | C | sing | 0.00Å | 1.73Å | |
N | C | doub | 0.00Å | 1.31Å | Aromatic |
N | C4 | sing | 0.00Å | 1.33Å | Aromatic |
C | C1 | sing | 0.00Å | 1.39Å | Aromatic |
C4 | C3 | doub | 0.00Å | 1.38Å | Aromatic |
C1 | C19 | sing | 0.00Å | 1.43Å | |
C1 | C2 | doub | 0.00Å | 1.41Å | Aromatic |
C19 | N5 | trip | 0.00Å | 1.13Å | |
C3 | C2 | sing | 0.00Å | 1.39Å | Aromatic |
C2 | N1 | sing | 0.00Å | 1.39Å | |
N1 | C5 | sing | 0.00Å | 1.40Å | |
C16 | C17 | sing | 0.00Å | 1.51Å | |
C16 | N4 | sing | 0.00Å | 1.46Å | |
C18 | N4 | sing | 0.00Å | 1.45Å | |
C17 | N3 | sing | 0.00Å | 1.46Å | |
N4 | C15 | sing | 0.00Å | 1.46Å | |
C5 | C10 | doub | 0.00Å | 1.38Å | Aromatic |
C5 | C6 | sing | 0.00Å | 1.39Å | Aromatic |
C10 | C9 | sing | 0.00Å | 1.39Å | Aromatic |
C6 | C7 | doub | 0.00Å | 1.38Å | Aromatic |
N3 | C11 | sing | 0.00Å | 1.36Å | |
N3 | C14 | sing | 0.00Å | 1.46Å | |
C15 | C14 | sing | 0.00Å | 1.51Å | |
C9 | C11 | sing | 0.00Å | 1.46Å | |
C9 | C8 | doub | 0.00Å | 1.41Å | Aromatic |
C7 | C8 | sing | 0.00Å | 1.38Å | Aromatic |
C11 | C12 | doub | 0.00Å | 1.36Å | |
C8 | N2 | sing | 0.00Å | 1.39Å | |
C12 | C13 | sing | 0.00Å | 1.42Å | |
N2 | C13 | sing | 0.00Å | 1.36Å | |
C13 | O | doub | 0.00Å | 1.22Å | |
C3 | H1 | sing | 0.00Å | 1.08Å | |
C4 | H2 | sing | 0.00Å | 1.08Å | |
C6 | H3 | sing | 0.00Å | 1.08Å | |
C12 | H4 | sing | 0.00Å | 1.08Å | |
N1 | H5 | sing | 0.00Å | 1.00Å | |
C10 | H6 | sing | 0.00Å | 1.08Å | |
C17 | H7 | sing | 0.00Å | 1.10Å | |
C17 | H8 | sing | 0.00Å | 1.10Å | |
C16 | H9 | sing | 0.00Å | 1.10Å | |
C16 | H10 | sing | 0.00Å | 1.10Å | |
C18 | H12 | sing | 0.00Å | 1.10Å | |
C18 | H13 | sing | 0.00Å | 1.10Å | |
C18 | H14 | sing | 0.00Å | 1.10Å | |
C15 | H15 | sing | 0.00Å | 1.10Å | |
C15 | H16 | sing | 0.00Å | 1.10Å | |
C14 | H17 | sing | 0.00Å | 1.10Å | |
C14 | H18 | sing | 0.00Å | 1.10Å | |
N2 | H19 | sing | 0.00Å | 1.00Å | |
C7 | H20 | sing | 0.00Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CL | C | N | 116.4° | 90.0° |
CL | C | C1 | 118.6° | 90.0° |
C | N | C4 | 116.6° | 90.0° |
N | C | C1 | 125.0° | 90.0° |
N | C4 | C3 | 124.1° | 90.0° |
N | C4 | H2 | 117.9° | 90.0° |
C | C1 | C19 | 121.9° | 90.0° |
C | C1 | C2 | 118.0° | 90.0° |
C4 | C3 | C2 | 119.2° | 90.0° |
C4 | C3 | H1 | 120.4° | 90.0° |
C3 | C4 | H2 | 118.0° | 90.0° |
C19 | C1 | C2 | 120.0° | 90.0° |
C1 | C19 | N5 | 177.9° | 90.0° |
C1 | C2 | C3 | 117.1° | 90.0° |
C1 | C2 | N1 | 122.2° | 90.0° |
C3 | C2 | N1 | 120.7° | 90.0° |
C2 | C3 | H1 | 120.4° | 90.0° |
C2 | N1 | C5 | 123.1° | 90.0° |
C2 | N1 | H5 | 118.4° | 90.0° |
N1 | C5 | C10 | 123.6° | 90.0° |
N1 | C5 | C6 | 116.7° | 90.0° |
C5 | N1 | H5 | 118.4° | 90.0° |
C17 | C16 | N4 | 110.8° | 90.0° |
C16 | C17 | N3 | 110.1° | 90.0° |
C16 | C17 | H7 | 109.3° | 90.0° |
C16 | C17 | H8 | 109.3° | 90.0° |
C17 | C16 | H9 | 109.2° | 90.0° |
C17 | C16 | H10 | 109.1° | 90.0° |
C16 | N4 | C18 | 110.7° | 90.0° |
C16 | N4 | C15 | 109.4° | 90.0° |
N4 | C16 | H9 | 109.1° | 90.0° |
N4 | C16 | H10 | 109.2° | 90.0° |
C18 | N4 | C15 | 110.7° | 90.0° |
N4 | C18 | H12 | 109.5° | 90.0° |
N4 | C18 | H13 | 109.5° | 90.0° |
N4 | C18 | H14 | 109.5° | 90.0° |
C17 | N3 | C11 | 115.1° | 90.0° |
C17 | N3 | C14 | 112.6° | 90.0° |
N3 | C17 | H7 | 109.3° | 90.0° |
N3 | C17 | H8 | 109.3° | 90.0° |
N4 | C15 | C14 | 110.8° | 90.0° |
N4 | C15 | H15 | 109.1° | 90.0° |
N4 | C15 | H16 | 109.2° | 90.0° |
C10 | C5 | C6 | 119.8° | 90.0° |
C5 | C10 | C9 | 120.3° | 90.0° |
C5 | C10 | H6 | 119.9° | 90.0° |
C5 | C6 | C7 | 120.5° | 90.0° |
C5 | C6 | H3 | 119.8° | 90.0° |
C10 | C9 | C11 | 122.4° | 90.0° |
C10 | C9 | C8 | 119.5° | 90.0° |
C9 | C10 | H6 | 119.8° | 90.0° |
C6 | C7 | C8 | 120.5° | 90.0° |
C7 | C6 | H3 | 119.7° | 90.0° |
C6 | C7 | H20 | 119.8° | 90.0° |
C11 | N3 | C14 | 116.9° | 90.0° |
N3 | C11 | C9 | 119.7° | 90.0° |
N3 | C11 | C12 | 123.2° | 90.0° |
N3 | C14 | C15 | 110.1° | 90.0° |
N3 | C14 | H17 | 109.3° | 90.0° |
N3 | C14 | H18 | 109.3° | 90.0° |
C14 | C15 | H15 | 109.1° | 90.0° |
C14 | C15 | H16 | 109.1° | 90.0° |
C15 | C14 | H17 | 109.3° | 90.0° |
C15 | C14 | H18 | 109.3° | 90.0° |
C11 | C9 | C8 | 118.1° | 90.0° |
C9 | C11 | C12 | 117.1° | 90.0° |
C9 | C8 | C7 | 119.5° | 90.0° |
C9 | C8 | N2 | 120.0° | 90.0° |
C7 | C8 | N2 | 120.6° | 90.0° |
C8 | C7 | H20 | 119.8° | 90.0° |
C11 | C12 | C13 | 125.7° | 90.0° |
C11 | C12 | H4 | 117.2° | 90.0° |
C8 | N2 | C13 | 124.2° | 90.0° |
C8 | N2 | H19 | 117.9° | 90.0° |
C12 | C13 | N2 | 114.9° | 90.0° |
C12 | C13 | O | 124.8° | 90.0° |
C13 | C12 | H4 | 117.2° | 90.0° |
N2 | C13 | O | 120.3° | 90.0° |
C13 | N2 | H19 | 117.9° | 90.0° |
H7 | C17 | H8 | 109.4° | 90.0° |
H9 | C16 | H10 | 109.5° | 90.0° |
H12 | C18 | H13 | 109.5° | 90.0° |
H12 | C18 | H14 | 109.4° | 90.0° |
H13 | C18 | H14 | 109.5° | 90.0° |
H15 | C15 | H16 | 109.5° | 90.0° |
H17 | C14 | H18 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CL | C | N | C1 | 179.8° | 90.0° |
CL | C | N | C4 | 179.6° | 90.0° |
CL | C | C1 | C19 | 1.6° | 90.0° |
CL | C | C1 | C2 | 179.3° | 90.0° |
C | N | C4 | C3 | 0.1° | 90.0° |
N | C | C1 | C19 | 178.6° | 90.0° |
N | C | C1 | C2 | 0.4° | 90.0° |
C | N | C4 | H2 | 179.8° | 90.0° |
C4 | N | C | C1 | 0.2° | 90.0° |
N | C4 | C3 | H2 | 180.0° | 90.0° |
N | C4 | C3 | C2 | 0.3° | 90.0° |
N | C4 | C3 | H1 | 179.8° | 90.0° |
C | C1 | C19 | C2 | 179.0° | 90.0° |
C | C1 | C19 | N5 | 6.4° | 90.0° |
C | C1 | C2 | C3 | 0.3° | 90.0° |
C | C1 | C2 | N1 | 179.5° | 90.0° |
C4 | C3 | C2 | C1 | 0.0° | 90.0° |
C4 | C3 | C2 | H1 | 180.0° | 90.0° |
C4 | C3 | C2 | N1 | 179.2° | 90.0° |
C19 | C1 | C2 | C3 | 178.8° | 90.0° |
C19 | C1 | C2 | N1 | 0.4° | 90.0° |
C2 | C1 | C19 | N5 | 172.6° | 90.0° |
C1 | C2 | C3 | N1 | 179.2° | 90.0° |
C1 | C2 | N1 | C5 | 178.1° | 90.0° |
C1 | C2 | C3 | H1 | 180.0° | 90.0° |
C1 | C2 | N1 | H5 | 1.9° | 90.0° |
C3 | C2 | N1 | C5 | 1.1° | 90.0° |
C2 | C3 | C4 | H2 | 179.7° | 90.0° |
C3 | C2 | N1 | H5 | 178.9° | 90.0° |
C2 | N1 | C5 | H5 | 180.0° | 90.0° |
C2 | N1 | C5 | C10 | 55.3° | 90.0° |
C2 | N1 | C5 | C6 | 123.8° | 90.0° |
N1 | C2 | C3 | H1 | 0.8° | 90.0° |
N1 | C5 | C10 | C6 | 179.0° | 90.0° |
N1 | C5 | C10 | C9 | 178.8° | 90.0° |
N1 | C5 | C6 | C7 | 178.9° | 90.0° |
N1 | C5 | C6 | H3 | 1.2° | 90.0° |
N1 | C5 | C10 | H6 | 1.2° | 90.0° |
C17 | C16 | N4 | H9 | 120.2° | 90.0° |
C17 | C16 | N4 | H10 | 120.2° | 90.0° |
C17 | C16 | N4 | C18 | 177.6° | 90.0° |
C16 | C17 | N3 | H7 | 120.1° | 90.0° |
C16 | C17 | N3 | H8 | 120.1° | 90.0° |
C17 | C16 | N4 | C15 | 60.1° | 90.0° |
C16 | C17 | N3 | C11 | 168.2° | 90.0° |
C16 | C17 | N3 | C14 | 54.5° | 90.0° |
C16 | C17 | H7 | H8 | 119.7° | 90.0° |
C17 | C16 | H9 | H10 | 119.4° | 90.0° |
C16 | N4 | C18 | C15 | 121.5° | 90.0° |
N4 | C16 | C17 | N3 | 57.1° | 90.0° |
C16 | N4 | C15 | C14 | 59.7° | 90.0° |
N4 | C16 | C17 | H7 | 63.0° | 90.0° |
N4 | C16 | C17 | H8 | 177.2° | 90.0° |
N4 | C16 | H9 | H10 | 119.4° | 90.0° |
C16 | N4 | C18 | H12 | 180.0° | 90.0° |
C16 | N4 | C18 | H13 | 60.0° | 90.0° |
C16 | N4 | C18 | H14 | 60.0° | 90.0° |
C16 | N4 | C15 | H15 | 60.5° | 90.0° |
C16 | N4 | C15 | H16 | 179.9° | 90.0° |
C18 | N4 | C15 | C14 | 178.0° | 90.0° |
C18 | N4 | C16 | H9 | 62.1° | 90.0° |
C18 | N4 | C16 | H10 | 57.5° | 90.0° |
N4 | C18 | H12 | H13 | 120.0° | 90.0° |
N4 | C18 | H12 | H14 | 120.0° | 90.0° |
N4 | C18 | H13 | H14 | 120.0° | 90.0° |
C18 | N4 | C15 | H15 | 61.8° | 90.0° |
C18 | N4 | C15 | H16 | 57.9° | 90.0° |
C17 | N3 | C11 | C14 | 135.5° | 90.0° |
C17 | N3 | C14 | C15 | 54.1° | 90.0° |
C17 | N3 | C11 | C9 | 65.8° | 90.0° |
C17 | N3 | C11 | C12 | 113.9° | 90.0° |
N3 | C17 | H7 | H8 | 119.7° | 90.0° |
N3 | C17 | C16 | H9 | 63.1° | 90.0° |
N3 | C17 | C16 | H10 | 177.3° | 90.0° |
C17 | N3 | C14 | H17 | 65.9° | 90.0° |
C17 | N3 | C14 | H18 | 174.2° | 90.0° |
N4 | C15 | C14 | N3 | 56.5° | 90.0° |
N4 | C15 | C14 | H15 | 120.2° | 90.0° |
N4 | C15 | C14 | H16 | 120.2° | 90.0° |
C15 | N4 | C16 | H9 | 60.2° | 90.0° |
C15 | N4 | C16 | H10 | 179.8° | 90.0° |
C15 | N4 | C18 | H12 | 58.5° | 90.0° |
C15 | N4 | C18 | H13 | 61.5° | 90.0° |
C15 | N4 | C18 | H14 | 178.5° | 90.0° |
N4 | C15 | H15 | H16 | 119.4° | 90.0° |
N4 | C15 | C14 | H17 | 63.6° | 90.0° |
N4 | C15 | C14 | H18 | 176.6° | 90.0° |
C5 | C10 | C9 | H6 | 180.0° | 90.0° |
C10 | C5 | C6 | C7 | 0.2° | 90.0° |
C5 | C10 | C9 | C11 | 179.9° | 90.0° |
C5 | C10 | C9 | C8 | 0.1° | 90.0° |
C10 | C5 | C6 | H3 | 179.7° | 90.0° |
C10 | C5 | N1 | H5 | 124.7° | 90.0° |
C6 | C5 | C10 | C9 | 0.2° | 90.0° |
C5 | C6 | C7 | H3 | 180.0° | 90.0° |
C5 | C6 | C7 | C8 | 0.1° | 90.0° |
C6 | C5 | N1 | H5 | 56.2° | 90.0° |
C6 | C5 | C10 | H6 | 179.8° | 90.0° |
C5 | C6 | C7 | H20 | 179.9° | 90.0° |
C10 | C9 | C11 | N3 | 0.5° | 90.0° |
C10 | C9 | C11 | C8 | 180.0° | 90.0° |
C10 | C9 | C8 | C7 | 0.0° | 90.0° |
C10 | C9 | C11 | C12 | 179.8° | 90.0° |
C10 | C9 | C8 | N2 | 179.9° | 90.0° |
C6 | C7 | C8 | C9 | 0.0° | 90.0° |
C6 | C7 | C8 | H20 | 180.0° | 90.0° |
C6 | C7 | C8 | N2 | 179.9° | 90.0° |
C11 | N3 | C14 | C15 | 169.3° | 90.0° |
N3 | C11 | C9 | C12 | 179.7° | 90.0° |
N3 | C11 | C9 | C8 | 179.5° | 90.0° |
N3 | C11 | C12 | C13 | 179.5° | 90.0° |
N3 | C11 | C12 | H4 | 0.4° | 90.0° |
C11 | N3 | C17 | H7 | 71.7° | 90.0° |
C11 | N3 | C17 | H8 | 48.0° | 90.0° |
C11 | N3 | C14 | H17 | 70.6° | 90.0° |
C11 | N3 | C14 | H18 | 49.3° | 90.0° |
N3 | C14 | C15 | H17 | 120.1° | 90.0° |
N3 | C14 | C15 | H18 | 120.1° | 90.0° |
C14 | N3 | C11 | C9 | 158.8° | 90.0° |
C14 | N3 | C11 | C12 | 21.6° | 90.0° |
C14 | N3 | C17 | H7 | 65.6° | 90.0° |
C14 | N3 | C17 | H8 | 174.6° | 90.0° |
N3 | C14 | C15 | H15 | 63.7° | 90.0° |
N3 | C14 | C15 | H16 | 176.7° | 90.0° |
N3 | C14 | H17 | H18 | 119.7° | 90.0° |
C14 | C15 | H15 | H16 | 119.4° | 90.0° |
C15 | C14 | H17 | H18 | 119.7° | 90.0° |
C11 | C9 | C8 | C7 | 180.0° | 90.0° |
C11 | C9 | C8 | N2 | 0.1° | 90.0° |
C9 | C11 | C12 | C13 | 0.1° | 90.0° |
C9 | C11 | C12 | H4 | 179.9° | 90.0° |
C11 | C9 | C10 | H6 | 0.1° | 90.0° |
C9 | C8 | C7 | N2 | 179.9° | 90.0° |
C8 | C9 | C11 | C12 | 0.2° | 90.0° |
C9 | C8 | N2 | C13 | 0.1° | 90.0° |
C8 | C9 | C10 | H6 | 179.9° | 90.0° |
C9 | C8 | N2 | H19 | 179.9° | 90.0° |
C9 | C8 | C7 | H20 | 179.9° | 90.0° |
C7 | C8 | N2 | C13 | 179.8° | 90.0° |
C8 | C7 | C6 | H3 | 179.9° | 90.0° |
C7 | C8 | N2 | H19 | 0.2° | 90.0° |
C11 | C12 | C13 | H4 | 180.0° | 90.0° |
C11 | C12 | C13 | N2 | 0.1° | 90.0° |
C11 | C12 | C13 | O | 179.9° | 90.0° |
C8 | N2 | C13 | C12 | 0.2° | 90.0° |
C8 | N2 | C13 | H19 | 180.0° | 90.0° |
C8 | N2 | C13 | O | 179.8° | 90.0° |
N2 | C8 | C7 | H20 | 0.1° | 90.0° |
C12 | C13 | N2 | O | 180.0° | 90.0° |
C12 | C13 | N2 | H19 | 179.8° | 90.0° |
N2 | C13 | C12 | H4 | 179.9° | 90.0° |
O | C13 | C12 | H4 | 0.1° | 90.0° |
O | C13 | N2 | H19 | 0.2° | 90.0° |
H1 | C3 | C4 | H2 | 0.3° | 90.0° |
H3 | C6 | C7 | H20 | 0.1° | 90.0° |
H7 | C17 | C16 | H9 | 176.8° | 90.0° |
H7 | C17 | C16 | H10 | 57.2° | 90.0° |
H8 | C17 | C16 | H9 | 56.9° | 90.0° |
H8 | C17 | C16 | H10 | 62.6° | 90.0° |
H12 | C18 | H13 | H14 | 120.0° | 90.0° |
H15 | C15 | C14 | H17 | 176.2° | 90.0° |
H15 | C15 | C14 | H18 | 56.4° | 90.0° |
H16 | C15 | C14 | H17 | 56.6° | 90.0° |
H16 | C15 | C14 | H18 | 63.2° | 90.0° |