6AC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | trip | 1.14Å | 1.20Å | |
| C1 | C2 | sing | 1.43Å | 1.25Å | |
| C2 | C3 | doub | 1.33Å | 1.34Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 177.9° | 180.0° |
| C1 | C2 | C3 | 122.0° | 120.0° |
| C1 | C2 | H1 | 119.0° | 120.0° |
| C3 | C2 | H1 | 119.0° | 120.0° |
| C2 | C3 | H2 | 120.0° | 120.0° |
| C2 | C3 | H3 | 120.0° | 120.1° |
| H2 | C3 | H3 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | C3 | 126.5° | 126.3° |
| N1 | C1 | C2 | H1 | 53.5° | 54.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 0.0° |
| C1 | C2 | C3 | H3 | 0.0° | 180.0° |
| C2 | C3 | H2 | H3 | 180.0° | 180.0° |
| H1 | C2 | C3 | H2 | 0.0° | 179.7° |
| H1 | C2 | C3 | H3 | 180.0° | 0.3° |
