W3J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | N2 | sing | 1.46Å | 1.46Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| N2 | C | doub | 1.29Å | 1.34Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C | N | sing | 1.37Å | 1.29Å | |
| C | N1 | sing | 1.38Å | 1.35Å | |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C3 | C2 | 109.4° | 110.6° |
| C3 | N2 | C | 123.3° | 123.8° |
| N2 | C3 | H4 | 109.5° | 109.2° |
| N2 | C3 | H5 | 109.5° | 109.3° |
| C3 | C2 | C1 | 110.4° | 108.5° |
| C2 | C3 | H4 | 109.5° | 109.3° |
| C2 | C3 | H5 | 109.5° | 109.3° |
| C3 | C2 | H6 | 109.2° | 109.6° |
| C3 | C2 | H7 | 109.2° | 109.6° |
| N2 | C | N | 123.8° | 118.9° |
| N2 | C | N1 | 119.1° | 122.3° |
| C2 | C1 | N1 | 110.1° | 107.6° |
| C1 | C2 | H6 | 109.2° | 109.7° |
| C1 | C2 | H7 | 109.2° | 109.5° |
| C2 | C1 | H8 | 109.3° | 109.8° |
| C2 | C1 | H9 | 109.3° | 109.9° |
| N | C | N1 | 117.1° | 118.8° |
| C | N | H2 | 120.0° | 120.0° |
| C | N | H3 | 120.0° | 120.0° |
| C | N1 | C1 | 123.9° | 118.7° |
| C | N1 | H1 | 118.1° | 120.6° |
| C1 | N1 | H1 | 118.0° | 120.7° |
| N1 | C1 | H8 | 109.3° | 110.0° |
| N1 | C1 | H9 | 109.3° | 109.6° |
| H2 | N | H3 | 120.0° | 120.0° |
| H4 | C3 | H5 | 109.5° | 109.1° |
| H6 | C2 | H7 | 109.5° | 109.8° |
| H8 | C1 | H9 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C3 | C2 | H4 | 120.0° | 120.3° |
| N2 | C3 | C2 | H5 | 120.0° | 120.3° |
| N2 | C3 | C2 | C1 | 53.2° | 49.3° |
| C3 | N2 | C | N | 178.1° | 179.0° |
| C3 | N2 | C | N1 | 2.2° | 1.0° |
| N2 | C3 | H4 | H5 | 120.0° | 119.4° |
| N2 | C3 | C2 | H6 | 66.9° | 169.1° |
| N2 | C3 | C2 | H7 | 173.3° | 70.3° |
| C2 | C3 | N2 | C | 30.1° | 20.8° |
| C3 | C2 | C1 | H6 | 120.1° | 119.7° |
| C3 | C2 | C1 | H7 | 120.1° | 119.7° |
| C3 | C2 | C1 | N1 | 50.0° | 59.2° |
| C2 | C3 | H4 | H5 | 120.0° | 119.5° |
| C3 | C2 | H6 | H7 | 119.6° | 120.5° |
| C3 | C2 | C1 | H8 | 170.0° | 178.9° |
| C3 | C2 | C1 | H9 | 70.2° | 60.1° |
| N2 | C | N | N1 | 179.8° | 179.9° |
| N2 | C | N1 | C1 | 1.7° | 12.7° |
| N2 | C | N1 | H1 | 178.3° | 167.1° |
| N2 | C | N | H2 | 0.0° | 180.0° |
| N2 | C | N | H3 | 180.0° | 0.1° |
| C | N2 | C3 | H4 | 150.2° | 99.6° |
| C | N2 | C3 | H5 | 89.8° | 141.1° |
| C2 | C1 | N1 | C | 23.3° | 42.0° |
| C2 | C1 | N1 | H8 | 120.1° | 119.6° |
| C2 | C1 | N1 | H9 | 120.1° | 119.5° |
| C2 | C1 | N1 | H1 | 156.7° | 137.8° |
| C1 | C2 | C3 | H4 | 173.2° | 71.0° |
| C1 | C2 | C3 | H5 | 66.8° | 169.6° |
| C1 | C2 | H6 | H7 | 119.6° | 120.4° |
| C2 | C1 | H8 | H9 | 119.7° | 121.0° |
| N | C | N1 | C1 | 178.1° | 167.3° |
| N | C | N1 | H1 | 1.9° | 12.9° |
| C | N | H2 | H3 | 180.0° | 180.0° |
| C | N1 | C1 | H1 | 180.0° | 179.8° |
| N1 | C | N | H2 | 179.8° | 0.0° |
| N1 | C | N | H3 | 0.2° | 180.0° |
| C | N1 | C1 | H8 | 143.4° | 161.6° |
| C | N1 | C1 | H9 | 96.8° | 77.5° |
| N1 | C1 | C2 | H6 | 70.2° | 179.0° |
| N1 | C1 | C2 | H7 | 170.1° | 60.5° |
| N1 | C1 | H8 | H9 | 119.7° | 120.8° |
| H1 | N1 | C1 | H8 | 36.6° | 18.2° |
| H1 | N1 | C1 | H9 | 83.2° | 102.8° |
| H4 | C3 | C2 | H6 | 53.1° | 48.8° |
| H4 | C3 | C2 | H7 | 66.7° | 169.4° |
| H5 | C3 | C2 | H6 | 173.1° | 70.6° |
| H5 | C3 | C2 | H7 | 53.4° | 50.0° |
| H6 | C2 | C1 | H8 | 49.9° | 61.3° |
| H6 | C2 | C1 | H9 | 169.7° | 59.7° |
| H7 | C2 | C1 | H8 | 69.8° | 59.2° |
| H7 | C2 | C1 | H9 | 50.0° | 179.8° |
