3CN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | CB | sing | 1.53Å | 1.45Å | |
| CA | HA1 | sing | 1.09Å | 1.12Å | |
| CA | HA2 | sing | 1.09Å | 1.11Å | |
| CA | HA3 | sing | 1.09Å | 1.11Å | |
| CB | CC | sing | 1.53Å | 1.43Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CC | ND | sing | 1.47Å | 1.44Å | |
| CC | HC1 | sing | 1.09Å | 1.11Å | |
| CC | HC2 | sing | 1.09Å | 1.11Å | |
| ND | HND1 | sing | 1.01Å | 1.02Å | |
| ND | HND2 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB | CA | HA1 | 111.4° | 109.4° |
| CB | CA | HA2 | 111.8° | 109.5° |
| CB | CA | HA3 | 111.3° | 109.4° |
| CA | CB | CC | 111.8° | 109.5° |
| CA | CB | HB1 | 111.3° | 109.5° |
| CA | CB | HB2 | 111.3° | 109.5° |
| HA1 | CA | HA2 | 111.3° | 109.5° |
| HA1 | CA | HA3 | 99.0° | 109.5° |
| HA2 | CA | HA3 | 111.4° | 109.5° |
| CC | CB | HB1 | 111.4° | 109.4° |
| CC | CB | HB2 | 111.4° | 109.4° |
| CB | CC | ND | 113.7° | 109.5° |
| CB | CC | HC1 | 110.7° | 109.5° |
| CB | CC | HC2 | 110.6° | 109.4° |
| HB1 | CB | HB2 | 99.0° | 109.4° |
| ND | CC | HC1 | 110.7° | 109.5° |
| ND | CC | HC2 | 110.7° | 109.5° |
| CC | ND | HND1 | 113.7° | 106.7° |
| CC | ND | HND2 | 110.7° | 106.7° |
| HC1 | CC | HC2 | 99.7° | 109.4° |
| HND1 | ND | HND2 | 110.7° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB | CA | HA1 | HA2 | 125.5° | 120.0° |
| CB | CA | HA1 | HA3 | 117.2° | 119.9° |
| CB | CA | HA2 | HA3 | 125.3° | 120.0° |
| CA | CB | CC | HB1 | 125.2° | 120.1° |
| CA | CB | CC | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 117.2° | 120.1° |
| CA | CB | CC | ND | 179.0° | 180.0° |
| CA | CB | CC | HC1 | 55.8° | 60.0° |
| CA | CB | CC | HC2 | 53.7° | 60.0° |
| HA1 | CA | HA2 | HA3 | 109.5° | 120.0° |
| HA1 | CA | CB | CC | 54.8° | 60.0° |
| HA1 | CA | CB | HB1 | 180.0° | 60.0° |
| HA1 | CA | CB | HB2 | 70.5° | 180.0° |
| HA2 | CA | CB | CC | 180.0° | 60.0° |
| HA2 | CA | CB | HB1 | 54.8° | 180.0° |
| HA2 | CA | CB | HB2 | 54.7° | 60.0° |
| HA3 | CA | CB | CC | 54.7° | 180.0° |
| HA3 | CA | CB | HB1 | 70.5° | 60.0° |
| HA3 | CA | CB | HB2 | 180.0° | 60.1° |
| CC | CB | HB1 | HB2 | 117.3° | 119.9° |
| CB | CC | ND | HC1 | 125.3° | 120.0° |
| CB | CC | ND | HC2 | 125.2° | 120.0° |
| CB | CC | HC1 | HC2 | 116.5° | 119.9° |
| CB | CC | ND | HND1 | 180.0° | 66.2° |
| CB | CC | ND | HND2 | 54.7° | 180.0° |
| HB1 | CB | CC | ND | 53.7° | 59.9° |
| HB1 | CB | CC | HC1 | 179.0° | 180.0° |
| HB1 | CB | CC | HC2 | 71.5° | 60.1° |
| HB2 | CB | CC | ND | 55.8° | 59.9° |
| HB2 | CB | CC | HC1 | 69.5° | 60.1° |
| HB2 | CB | CC | HC2 | 179.0° | 180.0° |
| ND | CC | HC1 | HC2 | 116.5° | 120.0° |
| CC | ND | HND1 | HND2 | 125.3° | 113.8° |
| HC1 | CC | ND | HND1 | 54.8° | 53.8° |
| HC1 | CC | ND | HND2 | 70.5° | 60.0° |
| HC2 | CC | ND | HND1 | 54.7° | 173.8° |
| HC2 | CC | ND | HND2 | 179.9° | 60.0° |
