NBN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | trip | 1.14Å | 1.05Å | |
| N | C1 | sing | 1.43Å | 1.57Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.47Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C4 | H43 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 141.8° | 180.0° |
| N | C1 | C2 | 110.3° | 109.5° |
| N | C1 | H11 | 111.9° | 109.5° |
| N | C1 | H12 | 111.9° | 109.5° |
| C2 | C1 | H11 | 111.9° | 109.5° |
| C2 | C1 | H12 | 112.0° | 109.5° |
| C1 | C2 | C3 | 111.5° | 109.5° |
| C1 | C2 | H21 | 111.4° | 109.5° |
| C1 | C2 | H22 | 111.5° | 109.5° |
| H11 | C1 | H12 | 98.5° | 109.4° |
| C3 | C2 | H21 | 111.5° | 109.5° |
| C3 | C2 | H22 | 111.5° | 109.5° |
| C2 | C3 | C4 | 107.8° | 109.5° |
| C2 | C3 | H31 | 112.8° | 109.5° |
| C2 | C3 | H32 | 112.8° | 109.5° |
| H21 | C2 | H22 | 98.9° | 109.4° |
| C4 | C3 | H31 | 112.8° | 109.5° |
| C4 | C3 | H32 | 112.9° | 109.5° |
| C3 | C4 | H41 | 107.8° | 109.5° |
| C3 | C4 | H42 | 112.8° | 109.5° |
| C3 | C4 | H43 | 112.8° | 109.5° |
| H31 | C3 | H32 | 97.6° | 109.5° |
| H41 | C4 | H42 | 112.9° | 109.5° |
| H41 | C4 | H43 | 112.8° | 109.5° |
| H42 | C4 | H43 | 97.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | C2 | 39.5° | 180.0° |
| C | N | C1 | H11 | 85.7° | 60.0° |
| C | N | C1 | H12 | 164.9° | 60.0° |
| N | C1 | C2 | H11 | 125.2° | 120.0° |
| N | C1 | C2 | H12 | 125.3° | 120.0° |
| N | C1 | H11 | H12 | 117.8° | 120.0° |
| N | C1 | C2 | C3 | 74.2° | 180.0° |
| N | C1 | C2 | H21 | 51.0° | 60.0° |
| N | C1 | C2 | H22 | 160.5° | 60.0° |
| C2 | C1 | H11 | H12 | 117.9° | 120.0° |
| C1 | C2 | C3 | H21 | 125.2° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 117.3° | 120.0° |
| C1 | C2 | C3 | C4 | 172.8° | 180.0° |
| C1 | C2 | C3 | H31 | 62.0° | 60.0° |
| C1 | C2 | C3 | H32 | 47.5° | 60.0° |
| H11 | C1 | C2 | C3 | 160.5° | 60.0° |
| H11 | C1 | C2 | H21 | 74.2° | NaN° |
| H11 | C1 | C2 | H22 | 35.3° | 60.0° |
| H12 | C1 | C2 | C3 | 51.1° | 60.0° |
| H12 | C1 | C2 | H21 | 176.3° | 60.0° |
| H12 | C1 | C2 | H22 | 74.2° | NaN° |
| C3 | C2 | H21 | H22 | 117.4° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 118.7° | 120.0° |
| C2 | C3 | C4 | H41 | 180.0° | 180.0° |
| C2 | C3 | C4 | H42 | 54.7° | 60.0° |
| C2 | C3 | C4 | H43 | 54.7° | 60.0° |
| H21 | C2 | C3 | C4 | 47.5° | 60.0° |
| H21 | C2 | C3 | H31 | 172.8° | 180.0° |
| H21 | C2 | C3 | H32 | 77.8° | 60.0° |
| H22 | C2 | C3 | C4 | 62.0° | 60.0° |
| H22 | C2 | C3 | H31 | 63.3° | 60.0° |
| H22 | C2 | C3 | H32 | 172.7° | 180.0° |
| C4 | C3 | H31 | H32 | 118.8° | 120.0° |
| C3 | C4 | H41 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H43 | 125.3° | 120.0° |
| C3 | C4 | H42 | H43 | 118.7° | 120.0° |
| H31 | C3 | C4 | H41 | 54.7° | 60.0° |
| H31 | C3 | C4 | H42 | 180.0° | 60.0° |
| H31 | C3 | C4 | H43 | 70.6° | 180.0° |
| H32 | C3 | C4 | H41 | 54.8° | 60.0° |
| H32 | C3 | C4 | H42 | 70.5° | 180.0° |
| H32 | C3 | C4 | H43 | 180.0° | 60.0° |
| H41 | C4 | H42 | H43 | 118.8° | 120.0° |
