3MO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C1 | sing | 1.34Å | 1.33Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| N2 | C7 | sing | 1.47Å | 1.43Å | |
| C4 | O5 | sing | 1.46Å | 1.44Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| O6 | C1 | doub | 1.22Å | 1.23Å | |
| C1 | O5 | sing | 1.34Å | 1.45Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | C3 | 115.7° | 108.9° |
| C1 | N2 | C7 | 128.6° | 125.6° |
| N2 | C1 | O6 | 130.5° | 123.1° |
| N2 | C1 | O5 | 106.8° | 113.9° |
| C3 | N2 | C7 | 115.7° | 125.5° |
| N2 | C3 | C4 | 101.1° | 103.7° |
| N2 | C3 | H31 | 114.1° | 110.6° |
| N2 | C3 | H32 | 112.3° | 110.5° |
| N2 | C7 | H71 | 109.5° | 109.5° |
| N2 | C7 | H72 | 109.4° | 109.5° |
| N2 | C7 | H73 | 109.5° | 109.5° |
| O5 | C4 | C3 | 106.4° | 104.0° |
| O5 | C4 | H41 | 111.2° | 110.5° |
| O5 | C4 | H42 | 110.5° | 110.5° |
| C4 | O5 | C1 | 109.9° | 109.5° |
| C3 | C4 | H41 | 111.2° | 110.5° |
| C3 | C4 | H42 | 110.5° | 110.5° |
| C4 | C3 | H31 | 114.1° | 110.6° |
| C4 | C3 | H32 | 112.4° | 110.6° |
| H41 | C4 | H42 | 107.1° | 110.6° |
| O6 | C1 | O5 | 122.7° | 123.0° |
| H31 | C3 | H32 | 103.2° | 110.7° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H71 | C7 | H73 | 109.4° | 109.4° |
| H72 | C7 | H73 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | C3 | C7 | 178.2° | 179.8° |
| N2 | C1 | O5 | C4 | 3.9° | 0.4° |
| C1 | N2 | C3 | C4 | 2.4° | 0.2° |
| N2 | C1 | O6 | O5 | 178.0° | 179.5° |
| C1 | N2 | C3 | H31 | 125.4° | 118.8° |
| C1 | N2 | C3 | H32 | 117.6° | 118.3° |
| C1 | N2 | C7 | H71 | 168.3° | 90.3° |
| C1 | N2 | C7 | H72 | 71.7° | 29.7° |
| C1 | N2 | C7 | H73 | 48.3° | 149.7° |
| N2 | C3 | C4 | O5 | 0.1° | 0.0° |
| N2 | C3 | C4 | H31 | 122.9° | 118.5° |
| N2 | C3 | C4 | H32 | 120.0° | 118.5° |
| N2 | C3 | C4 | H41 | 121.0° | 118.6° |
| N2 | C3 | C4 | H42 | 120.1° | 118.6° |
| C3 | N2 | C1 | O6 | 177.8° | 180.0° |
| C3 | N2 | C1 | O5 | 4.0° | 0.4° |
| N2 | C3 | H31 | H32 | 122.2° | 122.8° |
| C3 | N2 | C7 | H71 | 13.8° | 90.0° |
| C3 | N2 | C7 | H72 | 106.2° | 150.0° |
| C3 | N2 | C7 | H73 | 133.8° | 30.0° |
| C7 | N2 | C3 | C4 | 175.7° | 180.0° |
| C7 | N2 | C1 | O6 | 4.3° | 0.2° |
| C7 | N2 | C1 | O5 | 173.9° | 179.8° |
| C7 | N2 | C3 | H31 | 52.8° | 61.4° |
| C7 | N2 | C3 | H32 | 64.3° | 61.5° |
| N2 | C7 | H71 | H72 | 120.0° | 120.0° |
| N2 | C7 | H71 | H73 | 120.0° | 120.0° |
| N2 | C7 | H72 | H73 | 120.0° | 120.0° |
| O5 | C4 | C3 | H41 | 121.2° | 118.6° |
| O5 | C4 | C3 | H42 | 120.0° | 118.6° |
| O5 | C4 | H41 | H42 | 120.8° | 122.7° |
| C4 | O5 | C1 | O6 | 177.7° | 180.0° |
| O5 | C4 | C3 | H31 | 122.8° | 118.5° |
| O5 | C4 | C3 | H32 | 120.1° | 118.5° |
| C3 | C4 | H41 | H42 | 120.8° | 122.7° |
| C3 | C4 | O5 | C1 | 2.4° | 0.3° |
| C4 | C3 | H31 | H32 | 122.3° | 122.9° |
| H41 | C4 | O5 | C1 | 118.8° | 118.9° |
| H41 | C4 | C3 | H31 | 116.0° | 0.1° |
| H41 | C4 | C3 | H32 | 1.1° | 122.9° |
| H42 | C4 | O5 | C1 | 122.4° | 118.3° |
| H42 | C4 | C3 | H31 | 2.8° | 122.9° |
| H42 | C4 | C3 | H32 | 119.9° | 0.1° |
| H71 | C7 | H72 | H73 | 120.0° | 120.0° |
