VVY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C7 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
C8 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
C3 | O2 | sing | 1.36Å | 1.38Å | |
O2 | C2 | sing | 1.43Å | 1.43Å | |
C2 | C1 | sing | 1.51Å | 1.52Å | |
C1 | N1 | sing | 1.35Å | 1.34Å | |
C1 | O1 | doub | 1.21Å | 1.23Å | |
N1 | C9 | sing | 1.47Å | 1.47Å | |
N1 | C12 | sing | 1.47Å | 1.47Å | |
C9 | C10 | sing | 1.54Å | 1.52Å | |
C12 | C11 | sing | 1.55Å | 1.51Å | |
C10 | C11 | sing | 1.55Å | 1.49Å | |
C4 | H3 | sing | 1.08Å | 1.08Å | |
C5 | H4 | sing | 1.08Å | 1.08Å | |
C6 | H5 | sing | 1.08Å | 1.08Å | |
C7 | H6 | sing | 1.08Å | 1.08Å | |
C8 | H7 | sing | 1.08Å | 1.08Å | |
C10 | H11 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H1 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H8 | sing | 1.09Å | 1.10Å | |
C11 | H13 | sing | 1.09Å | 1.10Å | |
C11 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H14 | sing | 1.09Å | 1.10Å | |
C12 | H15 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | C7 | C8 | 120.5° | 120.1° |
C7 | C6 | C5 | 119.6° | 120.1° |
C7 | C6 | H5 | 120.2° | 120.0° |
C6 | C7 | H6 | 119.8° | 120.0° |
C7 | C8 | C3 | 120.0° | 119.9° |
C8 | C7 | H6 | 119.8° | 120.0° |
C7 | C8 | H7 | 120.0° | 120.1° |
C6 | C5 | C4 | 120.9° | 120.1° |
C6 | C5 | H4 | 119.5° | 120.0° |
C5 | C6 | H5 | 120.2° | 119.9° |
C8 | C3 | C4 | 119.5° | 119.9° |
C8 | C3 | O2 | 116.1° | 120.0° |
C3 | C8 | H7 | 120.0° | 120.0° |
C5 | C4 | C3 | 119.4° | 119.9° |
C5 | C4 | H3 | 120.3° | 120.1° |
C4 | C5 | H4 | 119.5° | 120.0° |
C4 | C3 | O2 | 124.4° | 120.0° |
C3 | C4 | H3 | 120.3° | 120.0° |
C3 | O2 | C2 | 120.9° | 117.0° |
O2 | C2 | C1 | 110.4° | 109.5° |
O2 | C2 | H2 | 109.2° | 109.5° |
O2 | C2 | H1 | 109.2° | 109.5° |
C2 | C1 | N1 | 119.2° | 120.0° |
C2 | C1 | O1 | 121.5° | 120.0° |
C1 | C2 | H2 | 109.2° | 109.5° |
C1 | C2 | H1 | 109.2° | 109.5° |
N1 | C1 | O1 | 119.2° | 120.0° |
C1 | N1 | C9 | 123.6° | 125.7° |
C1 | N1 | C12 | 125.9° | 125.6° |
C9 | N1 | C12 | 110.2° | 108.7° |
N1 | C9 | C10 | 103.5° | 107.3° |
N1 | C9 | H9 | 110.9° | 109.9° |
N1 | C9 | H8 | 110.9° | 109.8° |
N1 | C12 | C11 | 101.7° | 104.8° |
N1 | C12 | H14 | 111.4° | 110.4° |
N1 | C12 | H15 | 111.4° | 110.4° |
C9 | C10 | C11 | 103.6° | 102.9° |
C9 | C10 | H11 | 110.9° | 110.8° |
C9 | C10 | H10 | 110.9° | 110.9° |
C10 | C9 | H9 | 110.9° | 109.9° |
C10 | C9 | H8 | 111.0° | 109.9° |
C12 | C11 | C10 | 102.1° | 101.6° |
C12 | C11 | H13 | 111.3° | 111.1° |
C12 | C11 | H12 | 111.3° | 111.0° |
C11 | C12 | H14 | 111.4° | 110.4° |
C11 | C12 | H15 | 111.4° | 110.3° |
C11 | C10 | H11 | 110.9° | 110.7° |
C11 | C10 | H10 | 110.9° | 110.7° |
C10 | C11 | H13 | 111.3° | 111.0° |
C10 | C11 | H12 | 111.3° | 111.0° |
H11 | C10 | H10 | 109.5° | 110.7° |
H2 | C2 | H1 | 109.5° | 109.4° |
H9 | C9 | H8 | 109.5° | 110.0° |
H13 | C11 | H12 | 109.5° | 110.9° |
H14 | C12 | H15 | 109.5° | 110.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | C7 | C8 | H6 | 180.0° | 179.9° |
C7 | C6 | C5 | H5 | 180.0° | 180.0° |
C6 | C7 | C8 | C3 | 0.6° | 0.2° |
C7 | C6 | C5 | C4 | 2.2° | 0.0° |
C7 | C6 | C5 | H4 | 177.8° | 179.9° |
C6 | C7 | C8 | H7 | 179.4° | 180.0° |
C8 | C7 | C6 | C5 | 2.0° | 0.1° |
C7 | C8 | C3 | H7 | 180.0° | 179.8° |
C7 | C8 | C3 | C4 | 0.6° | 0.6° |
C7 | C8 | C3 | O2 | 179.5° | 180.0° |
C8 | C7 | C6 | H5 | 178.0° | 180.0° |
C6 | C5 | C4 | H4 | 180.0° | 179.9° |
C6 | C5 | C4 | C3 | 1.1° | 0.4° |
C6 | C5 | C4 | H3 | 178.9° | 180.0° |
C5 | C6 | C7 | H6 | 178.0° | 180.0° |
C8 | C3 | C4 | C5 | 0.4° | 0.6° |
C8 | C3 | C4 | O2 | 179.9° | 179.4° |
C8 | C3 | O2 | C2 | 158.8° | 180.0° |
C8 | C3 | C4 | H3 | 179.6° | 179.7° |
C3 | C8 | C7 | H6 | 179.4° | 179.7° |
C5 | C4 | C3 | H3 | 180.0° | 179.7° |
C5 | C4 | C3 | O2 | 179.8° | 180.0° |
C4 | C5 | C6 | H5 | 177.7° | 180.0° |
C4 | C3 | O2 | C2 | 21.3° | 0.6° |
C3 | C4 | C5 | H4 | 178.9° | 179.8° |
C4 | C3 | C8 | H7 | 179.4° | 179.6° |
C3 | O2 | C2 | C1 | 172.9° | 180.0° |
O2 | C3 | C4 | H3 | 0.2° | 0.3° |
O2 | C3 | C8 | H7 | 0.5° | 0.2° |
C3 | O2 | C2 | H2 | 67.0° | 59.9° |
C3 | O2 | C2 | H1 | 52.7° | 60.0° |
O2 | C2 | C1 | H2 | 120.1° | 120.0° |
O2 | C2 | C1 | H1 | 120.2° | 120.0° |
O2 | C2 | C1 | N1 | 147.8° | 180.0° |
O2 | C2 | C1 | O1 | 30.2° | 0.0° |
O2 | C2 | H2 | H1 | 119.5° | 119.9° |
C2 | C1 | N1 | O1 | 178.1° | 180.0° |
C2 | C1 | N1 | C9 | 133.6° | 180.0° |
C2 | C1 | N1 | C12 | 53.8° | 0.3° |
C1 | C2 | H2 | H1 | 119.6° | 120.0° |
C1 | N1 | C9 | C12 | 173.6° | 179.7° |
C1 | N1 | C9 | C10 | 175.2° | 179.2° |
C1 | N1 | C12 | C11 | 149.2° | 156.1° |
N1 | C1 | C2 | H2 | 27.7° | 60.0° |
N1 | C1 | C2 | H1 | 92.0° | 60.0° |
C1 | N1 | C9 | H9 | 56.2° | 59.7° |
C1 | N1 | C9 | H8 | 65.8° | 61.4° |
C1 | N1 | C12 | H14 | 92.1° | 85.0° |
C1 | N1 | C12 | H15 | 30.5° | 37.4° |
O1 | C1 | N1 | C9 | 44.5° | 0.0° |
O1 | C1 | N1 | C12 | 128.1° | 179.6° |
O1 | C1 | C2 | H2 | 150.4° | 120.0° |
O1 | C1 | C2 | H1 | 89.9° | 120.0° |
N1 | C9 | C10 | H9 | 119.0° | 119.5° |
N1 | C9 | C10 | H8 | 119.0° | 119.4° |
C9 | N1 | C12 | C11 | 24.3° | 24.2° |
N1 | C9 | C10 | C11 | 27.3° | 22.2° |
N1 | C9 | C10 | H11 | 146.3° | 140.5° |
N1 | C9 | C10 | H10 | 91.8° | 96.2° |
N1 | C9 | H9 | H8 | 122.8° | 121.0° |
C9 | N1 | C12 | H14 | 94.5° | 94.7° |
C9 | N1 | C12 | H15 | 143.0° | 142.9° |
C12 | N1 | C9 | C10 | 1.5° | 1.1° |
N1 | C12 | C11 | H14 | 118.7° | 118.8° |
N1 | C12 | C11 | H15 | 118.7° | 118.8° |
N1 | C12 | C11 | C10 | 40.6° | 37.0° |
C12 | N1 | C9 | H9 | 117.5° | 120.5° |
C12 | N1 | C9 | H8 | 120.6° | 118.3° |
N1 | C12 | C11 | H13 | 159.4° | 81.0° |
N1 | C12 | C11 | H12 | 78.2° | 155.1° |
N1 | C12 | H14 | H15 | 123.6° | 122.3° |
C9 | C10 | C11 | C12 | 42.4° | 35.5° |
C9 | C10 | C11 | H11 | 119.1° | 118.4° |
C9 | C10 | C11 | H10 | 119.0° | 118.5° |
C9 | C10 | H11 | H10 | 122.7° | 123.4° |
C10 | C9 | H9 | H8 | 122.8° | 121.1° |
C9 | C10 | C11 | H13 | 161.2° | 82.6° |
C9 | C10 | C11 | H12 | 76.4° | 153.6° |
C12 | C11 | C10 | H13 | 118.8° | 118.2° |
C12 | C11 | C10 | H12 | 118.8° | 118.1° |
C12 | C11 | C10 | H11 | 161.5° | 153.9° |
C12 | C11 | C10 | H10 | 76.6° | 83.0° |
C12 | C11 | H13 | H12 | 123.5° | 123.9° |
C11 | C12 | H14 | H15 | 123.6° | 122.3° |
C11 | C10 | H11 | H10 | 122.7° | 123.1° |
C11 | C10 | C9 | H9 | 91.8° | 97.3° |
C11 | C10 | C9 | H8 | 146.3° | 141.6° |
C10 | C11 | H13 | H12 | 123.4° | 123.8° |
C10 | C11 | C12 | H14 | 78.2° | 81.8° |
C10 | C11 | C12 | H15 | 159.3° | 155.8° |
H3 | C4 | C5 | H4 | 1.1° | 0.1° |
H4 | C5 | C6 | H5 | 2.3° | 0.1° |
H5 | C6 | C7 | H6 | 2.0° | 0.0° |
H6 | C7 | C8 | H7 | 0.6° | 0.1° |
H11 | C10 | C9 | H9 | 27.3° | 21.0° |
H11 | C10 | C9 | H8 | 94.7° | 100.1° |
H11 | C10 | C11 | H13 | 79.7° | 35.7° |
H11 | C10 | C11 | H12 | 42.7° | 88.0° |
H10 | C10 | C9 | H9 | 149.2° | 144.3° |
H10 | C10 | C9 | H8 | 27.3° | 23.2° |
H10 | C10 | C11 | H13 | 42.2° | 158.9° |
H10 | C10 | C11 | H12 | 164.6° | 35.1° |
H13 | C11 | C12 | H14 | 40.6° | 160.1° |
H13 | C11 | C12 | H15 | 81.9° | 37.7° |
H12 | C11 | C12 | H14 | 163.1° | 36.3° |
H12 | C11 | C12 | H15 | 40.5° | 86.1° |