O0V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | doub | 1.39Å | 1.34Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | F | sing | 1.35Å | 1.29Å | |
| C8 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C4 | sing | 1.32Å | 1.31Å | Aromatic |
| C4 | N | sing | 1.39Å | 1.47Å | |
| N | C1 | sing | 1.47Å | 1.47Å | |
| N | C3 | sing | 1.47Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C2 | O | sing | 1.43Å | 1.34Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| O | H7 | sing | 0.97Å | 0.95Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 115.5° | 119.3° |
| C6 | C7 | C8 | 120.5° | 118.5° |
| C7 | C6 | H2 | 122.2° | 120.3° |
| C6 | C7 | H3 | 119.7° | 120.8° |
| C6 | C5 | N1 | 124.8° | 120.9° |
| C6 | C5 | H1 | 117.6° | 119.5° |
| C5 | C6 | H2 | 122.3° | 120.3° |
| C7 | C8 | F | 117.5° | 120.5° |
| C7 | C8 | C4 | 121.5° | 119.0° |
| C8 | C7 | H3 | 119.7° | 120.7° |
| C5 | N1 | C4 | 120.7° | 121.7° |
| N1 | C5 | H1 | 117.6° | 119.6° |
| F | C8 | C4 | 120.8° | 120.5° |
| C8 | C4 | N1 | 116.9° | 120.6° |
| C8 | C4 | N | 121.7° | 119.7° |
| N1 | C4 | N | 121.4° | 119.7° |
| C4 | N | C1 | 118.6° | 111.0° |
| C4 | N | C3 | 121.1° | 111.0° |
| C1 | N | C3 | 111.8° | 111.0° |
| N | C1 | C2 | 109.1° | 109.4° |
| N | C1 | C | 110.6° | 109.5° |
| N | C1 | H8 | 109.7° | 109.5° |
| N | C3 | H11 | 109.5° | 109.5° |
| N | C3 | H12 | 109.4° | 109.4° |
| N | C3 | H13 | 109.5° | 109.5° |
| C2 | C1 | C | 109.3° | 109.5° |
| C1 | C2 | O | 100.6° | 109.5° |
| C2 | C1 | H8 | 109.3° | 109.5° |
| C1 | C2 | H9 | 111.7° | 109.5° |
| C1 | C2 | H10 | 111.7° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | C | H6 | 109.5° | 109.5° |
| C | C1 | H8 | 108.9° | 109.5° |
| C2 | O | H7 | 109.5° | 114.0° |
| O | C2 | H9 | 111.7° | 109.4° |
| O | C2 | H10 | 111.6° | 109.4° |
| H4 | C | H5 | 109.5° | 109.5° |
| H4 | C | H6 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.4° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.5° |
| H11 | C3 | H13 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C6 | C7 | C8 | H3 | 180.0° | 179.9° |
| C7 | C6 | C5 | N1 | 0.8° | 0.1° |
| C6 | C7 | C8 | F | 172.8° | 180.0° |
| C6 | C7 | C8 | C4 | 2.4° | 0.0° |
| C7 | C6 | C5 | H1 | 179.2° | 180.0° |
| C5 | C6 | C7 | C8 | 0.8° | 0.1° |
| C6 | C5 | N1 | H1 | 180.0° | 179.9° |
| C6 | C5 | N1 | C4 | 0.8° | 0.0° |
| C5 | C6 | C7 | H3 | 179.2° | 180.0° |
| C7 | C8 | F | C4 | 175.3° | 180.0° |
| C7 | C8 | C4 | N1 | 2.4° | 0.1° |
| C7 | C8 | C4 | N | 177.8° | 180.0° |
| C8 | C7 | C6 | H2 | 179.2° | 180.0° |
| C5 | N1 | C4 | C8 | 0.8° | 0.0° |
| C5 | N1 | C4 | N | 179.4° | 180.0° |
| N1 | C5 | C6 | H2 | 179.2° | 180.0° |
| F | C8 | C4 | N1 | 172.7° | 180.0° |
| F | C8 | C4 | N | 7.1° | 0.1° |
| F | C8 | C7 | H3 | 7.2° | 0.0° |
| C8 | C4 | N1 | N | 179.8° | 179.9° |
| C8 | C4 | N | C1 | 22.5° | 160.1° |
| C8 | C4 | N | C3 | 167.9° | 76.0° |
| C4 | C8 | C7 | H3 | 177.5° | 179.9° |
| N1 | C4 | N | C1 | 157.8° | 19.8° |
| N1 | C4 | N | C3 | 12.4° | 104.1° |
| C4 | N1 | C5 | H1 | 179.2° | 179.9° |
| C4 | N | C1 | C3 | 148.4° | 123.9° |
| C4 | N | C1 | C2 | 124.8° | 62.5° |
| C4 | N | C1 | C | 115.0° | 177.6° |
| C4 | N | C1 | H8 | 5.1° | 57.5° |
| C4 | N | C3 | H11 | 180.0° | 53.0° |
| C4 | N | C3 | H12 | 60.0° | 173.0° |
| C4 | N | C3 | H13 | 60.0° | 67.0° |
| N | C1 | C2 | C | 121.0° | 120.0° |
| N | C1 | C2 | H8 | 119.9° | 120.0° |
| N | C1 | C | H8 | 120.6° | 120.0° |
| N | C1 | C2 | O | 179.8° | 65.7° |
| N | C1 | C | H4 | 180.0° | 60.0° |
| N | C1 | C | H5 | 60.0° | 180.0° |
| N | C1 | C | H6 | 60.0° | 60.0° |
| N | C1 | C2 | H9 | 61.7° | 174.3° |
| N | C1 | C2 | H10 | 61.3° | 54.3° |
| C1 | N | C3 | H11 | 32.4° | 176.9° |
| C1 | N | C3 | H12 | 87.6° | 63.1° |
| C1 | N | C3 | H13 | 152.5° | 56.9° |
| C3 | N | C1 | C2 | 86.8° | 173.7° |
| C3 | N | C1 | C | 33.5° | 53.7° |
| C3 | N | C1 | H8 | 153.6° | 66.4° |
| N | C3 | H11 | H12 | 120.0° | 119.9° |
| N | C3 | H11 | H13 | 120.0° | 120.0° |
| N | C3 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | C | H8 | 119.3° | 120.0° |
| C1 | C2 | O | H9 | 118.6° | 120.0° |
| C1 | C2 | O | H10 | 118.6° | 120.0° |
| C2 | C1 | C | H4 | 59.9° | 60.0° |
| C2 | C1 | C | H5 | 179.9° | 60.0° |
| C2 | C1 | C | H6 | 60.1° | 180.0° |
| C1 | C2 | O | H7 | 180.0° | 180.0° |
| C1 | C2 | H9 | H10 | 124.2° | 120.1° |
| C | C1 | C2 | O | 59.2° | 54.3° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H6 | 120.0° | 120.0° |
| C1 | C | H5 | H6 | 120.0° | 120.0° |
| C | C1 | C2 | H9 | 59.4° | 65.7° |
| C | C1 | C2 | H10 | 177.7° | 174.3° |
| O | C2 | C1 | H8 | 59.9° | 174.4° |
| O | C2 | H9 | H10 | 124.1° | 119.9° |
| H1 | C5 | C6 | H2 | 0.8° | 0.1° |
| H2 | C6 | C7 | H3 | 0.8° | 0.1° |
| H4 | C | H5 | H6 | 120.0° | 120.0° |
| H4 | C | C1 | H8 | 59.4° | 180.0° |
| H5 | C | C1 | H8 | 60.6° | 60.0° |
| H6 | C | C1 | H8 | 179.4° | 60.0° |
| H7 | O | C2 | H9 | 61.5° | 60.0° |
| H7 | O | C2 | H10 | 61.4° | 60.0° |
| H8 | C1 | C2 | H9 | 178.5° | 54.4° |
| H8 | C1 | C2 | H10 | 58.6° | 65.7° |
| H11 | C3 | H12 | H13 | 120.0° | 120.0° |
