A1CNC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.49Å | |
| C1 | N | sing | 1.46Å | 1.47Å | |
| N | C2 | sing | 1.35Å | 1.34Å | |
| O | C2 | doub | 1.22Å | 1.23Å | |
| C2 | C3 | sing | 1.48Å | 1.50Å | |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.39Å | 1.44Å | |
| C7 | N1 | sing | 1.47Å | 1.46Å | |
| C8 | N1 | sing | 1.47Å | 1.46Å | |
| C6 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | F | sing | 1.35Å | 1.35Å | |
| C10 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 112.8° | 109.5° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C | C1 | H3 | 108.6° | 109.4° |
| C | C1 | H4 | 108.6° | 109.4° |
| C1 | N | C2 | 122.8° | 120.0° |
| C1 | N | H5 | 118.6° | 120.0° |
| N | C1 | H3 | 108.6° | 109.5° |
| N | C1 | H4 | 108.6° | 109.5° |
| N | C2 | O | 122.1° | 120.0° |
| N | C2 | C3 | 117.1° | 120.0° |
| C2 | N | H5 | 118.6° | 120.0° |
| O | C2 | C3 | 120.9° | 120.0° |
| C2 | C3 | C4 | 120.1° | 120.1° |
| C2 | C3 | C10 | 120.7° | 120.1° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C4 | C3 | C10 | 119.1° | 119.9° |
| C3 | C4 | H6 | 119.4° | 120.0° |
| C4 | C5 | C6 | 120.4° | 120.1° |
| C5 | C4 | H6 | 119.4° | 120.1° |
| C4 | C5 | H7 | 119.8° | 119.9° |
| C5 | C6 | N1 | 121.9° | 119.9° |
| C5 | C6 | C9 | 116.9° | 120.2° |
| C6 | C5 | H7 | 119.8° | 120.0° |
| C6 | N1 | C7 | 118.7° | 111.0° |
| C6 | N1 | C8 | 120.4° | 111.0° |
| N1 | C6 | C9 | 121.1° | 120.0° |
| C7 | N1 | C8 | 117.7° | 111.0° |
| N1 | C7 | H10 | 109.5° | 109.4° |
| N1 | C7 | H8 | 109.5° | 109.5° |
| N1 | C7 | H9 | 109.5° | 109.4° |
| N1 | C8 | H11 | 109.5° | 109.5° |
| N1 | C8 | H12 | 109.4° | 109.5° |
| N1 | C8 | H13 | 109.4° | 109.5° |
| C6 | C9 | F | 118.5° | 119.9° |
| C6 | C9 | C10 | 123.2° | 120.0° |
| F | C9 | C10 | 118.2° | 120.0° |
| C9 | C10 | C3 | 119.0° | 119.9° |
| C9 | C10 | H14 | 120.5° | 120.1° |
| C3 | C10 | H14 | 120.5° | 120.0° |
| H10 | C7 | H8 | 109.5° | 109.5° |
| H10 | C7 | H9 | 109.4° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.4° |
| H11 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H | C | H1 | 109.4° | 109.5° |
| H | C | H2 | 109.4° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | H3 | 120.5° | 120.0° |
| C | C1 | N | H4 | 120.5° | 120.0° |
| C | C1 | N | C2 | 123.9° | 180.0° |
| C | C1 | N | H5 | 56.1° | 0.0° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| C1 | C | H | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C | C1 | H3 | H4 | 118.5° | 119.9° |
| C1 | N | C2 | H5 | 180.0° | 180.0° |
| C1 | N | C2 | O | 48.0° | 0.0° |
| C1 | N | C2 | C3 | 133.1° | 180.0° |
| N | C1 | C | H | 180.0° | 60.0° |
| N | C1 | C | H1 | 60.0° | 60.0° |
| N | C1 | C | H2 | 60.0° | 180.0° |
| N | C1 | H3 | H4 | 118.5° | 120.1° |
| N | C2 | O | C3 | 178.9° | 180.0° |
| N | C2 | C3 | C4 | 158.9° | 180.0° |
| N | C2 | C3 | C10 | 21.9° | 0.0° |
| C2 | N | C1 | H3 | 115.6° | 60.0° |
| C2 | N | C1 | H4 | 3.4° | 60.0° |
| O | C2 | C3 | C4 | 20.0° | 0.0° |
| O | C2 | C3 | C10 | 159.1° | 180.0° |
| O | C2 | N | H5 | 132.0° | 180.0° |
| C2 | C3 | C4 | C10 | 179.2° | 180.0° |
| C2 | C3 | C4 | C5 | 177.4° | 180.0° |
| C2 | C3 | C10 | C9 | 177.7° | 179.5° |
| C2 | C3 | C4 | H6 | 2.6° | 0.2° |
| C2 | C3 | C10 | H14 | 2.3° | 0.3° |
| C3 | C2 | N | H5 | 46.9° | 0.0° |
| C3 | C4 | C5 | H6 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.1° | 0.2° |
| C4 | C3 | C10 | C9 | 1.4° | 0.5° |
| C3 | C4 | C5 | H7 | 179.9° | 179.8° |
| C4 | C3 | C10 | H14 | 178.6° | 179.8° |
| C4 | C5 | C6 | H7 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 175.7° | 180.0° |
| C4 | C5 | C6 | C9 | 1.9° | 0.0° |
| C5 | C4 | C3 | C10 | 1.8° | 0.0° |
| C5 | C6 | N1 | C9 | 177.5° | 180.0° |
| C5 | C6 | N1 | C7 | 1.0° | 60.0° |
| C5 | C6 | N1 | C8 | 158.2° | 63.9° |
| C5 | C6 | C9 | F | 174.2° | 179.9° |
| C5 | C6 | C9 | C10 | 2.3° | 0.5° |
| C6 | C5 | C4 | H6 | 179.9° | 180.0° |
| C6 | N1 | C7 | C8 | 159.8° | 124.0° |
| N1 | C6 | C9 | F | 8.2° | 0.1° |
| N1 | C6 | C9 | C10 | 175.3° | 179.5° |
| N1 | C6 | C5 | H7 | 4.3° | 0.0° |
| C6 | N1 | C7 | H10 | 180.0° | 60.0° |
| C6 | N1 | C7 | H8 | 60.0° | 180.0° |
| C6 | N1 | C7 | H9 | 60.0° | 60.0° |
| C6 | N1 | C8 | H11 | 180.0° | 60.0° |
| C6 | N1 | C8 | H12 | 60.0° | 180.0° |
| C6 | N1 | C8 | H13 | 60.0° | 60.0° |
| C7 | N1 | C6 | C9 | 176.5° | 120.0° |
| N1 | C7 | H10 | H8 | 120.0° | 120.0° |
| N1 | C7 | H10 | H9 | 120.0° | 119.9° |
| N1 | C7 | H8 | H9 | 120.0° | 120.0° |
| C7 | N1 | C8 | H11 | 20.6° | 176.0° |
| C7 | N1 | C8 | H12 | 99.4° | 56.1° |
| C7 | N1 | C8 | H13 | 140.6° | 63.9° |
| C8 | N1 | C6 | C9 | 24.3° | 116.1° |
| C8 | N1 | C7 | H10 | 20.2° | 63.9° |
| C8 | N1 | C7 | H8 | 140.2° | 56.1° |
| C8 | N1 | C7 | H9 | 99.8° | 176.1° |
| N1 | C8 | H11 | H12 | 120.0° | 120.0° |
| N1 | C8 | H11 | H13 | 120.0° | 120.1° |
| N1 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C9 | F | C10 | 176.7° | 179.5° |
| C6 | C9 | C10 | C3 | 0.7° | 0.8° |
| C9 | C6 | C5 | H7 | 178.1° | 180.0° |
| C6 | C9 | C10 | H14 | 179.3° | 180.0° |
| F | C9 | C10 | C3 | 175.9° | 179.7° |
| F | C9 | C10 | H14 | 4.1° | 0.5° |
| C9 | C10 | C3 | H14 | 180.0° | 179.2° |
| C10 | C3 | C4 | H6 | 178.2° | 179.8° |
| H6 | C4 | C5 | H7 | 0.1° | 0.0° |
| H10 | C7 | H8 | H9 | 120.0° | 120.1° |
| H11 | C8 | H12 | H13 | 120.0° | 120.0° |
| H5 | N | C1 | H3 | 64.4° | 120.0° |
| H5 | N | C1 | H4 | 176.6° | 120.0° |
| H | C | H1 | H2 | 119.9° | 120.0° |
| H | C | C1 | H3 | 59.5° | 180.0° |
| H | C | C1 | H4 | 59.5° | 60.0° |
| H1 | C | C1 | H3 | 60.5° | 60.0° |
| H1 | C | C1 | H4 | 179.5° | 180.0° |
| H2 | C | C1 | H3 | 179.5° | 60.0° |
| H2 | C | C1 | H4 | 60.5° | 60.0° |
