H8N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAH | sing | 1.36Å | 1.37Å | |
| CAH | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAI | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | CAI | sing | 1.40Å | 1.38Å | Aromatic |
| CAI | CAC | sing | 1.43Å | 1.49Å | |
| CAC | NAA | trip | 1.14Å | 1.14Å | |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| OAB | H3 | sing | 0.97Å | 0.95Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAH | CAD | 118.6° | 119.9° |
| OAB | CAH | CAE | 119.4° | 119.9° |
| CAH | OAB | H3 | 109.5° | 114.0° |
| CAD | CAH | CAE | 122.0° | 120.2° |
| CAH | CAD | CAF | 118.1° | 120.1° |
| CAH | CAD | H2 | 120.9° | 120.0° |
| CAH | CAE | CAG | 119.5° | 120.1° |
| CAH | CAE | H4 | 120.3° | 119.9° |
| CAD | CAF | CAI | 120.0° | 119.9° |
| CAD | CAF | H1 | 120.0° | 120.0° |
| CAF | CAD | H2 | 121.0° | 120.0° |
| CAE | CAG | CAI | 119.0° | 119.9° |
| CAG | CAE | H4 | 120.3° | 120.0° |
| CAE | CAG | H5 | 120.5° | 120.0° |
| CAF | CAI | CAG | 121.4° | 119.9° |
| CAF | CAI | CAC | 118.3° | 120.1° |
| CAI | CAF | H1 | 120.0° | 120.1° |
| CAG | CAI | CAC | 120.3° | 120.1° |
| CAI | CAG | H5 | 120.5° | 120.1° |
| CAI | CAC | NAA | 178.3° | 180.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAH | CAD | CAE | 179.3° | 180.0° |
| OAB | CAH | CAD | CAF | 179.4° | 180.0° |
| OAB | CAH | CAE | CAG | 179.5° | 179.7° |
| OAB | CAH | CAD | H2 | 0.6° | 0.1° |
| OAB | CAH | CAE | H4 | 0.5° | 0.0° |
| CAH | CAD | CAF | H2 | 180.0° | 179.9° |
| CAD | CAH | CAE | CAG | 0.2° | 0.2° |
| CAH | CAD | CAF | CAI | 0.0° | 0.0° |
| CAH | CAD | CAF | H1 | 180.0° | 180.0° |
| CAD | CAH | OAB | H3 | 180.0° | 90.0° |
| CAD | CAH | CAE | H4 | 179.8° | 180.0° |
| CAE | CAH | CAD | CAF | 0.1° | 0.0° |
| CAH | CAE | CAG | H4 | 180.0° | 179.7° |
| CAH | CAE | CAG | CAI | 0.3° | 0.5° |
| CAE | CAH | CAD | H2 | 179.9° | 180.0° |
| CAE | CAH | OAB | H3 | 0.7° | 90.0° |
| CAH | CAE | CAG | H5 | 179.7° | 180.0° |
| CAD | CAF | CAI | H1 | 180.0° | 180.0° |
| CAD | CAF | CAI | CAG | 0.2° | 0.2° |
| CAD | CAF | CAI | CAC | 179.8° | 180.0° |
| CAE | CAG | CAI | CAF | 0.3° | 0.5° |
| CAE | CAG | CAI | H5 | 180.0° | 179.5° |
| CAE | CAG | CAI | CAC | 179.7° | 179.7° |
| CAF | CAI | CAG | CAC | 180.0° | 179.7° |
| CAF | CAI | CAC | NAA | 11.0° | 90.1° |
| CAI | CAF | CAD | H2 | 179.9° | 180.0° |
| CAF | CAI | CAG | H5 | 179.7° | 180.0° |
| CAG | CAI | CAC | NAA | 169.0° | 90.2° |
| CAG | CAI | CAF | H1 | 179.8° | 179.8° |
| CAI | CAG | CAE | H4 | 179.7° | 179.8° |
| CAC | CAI | CAF | H1 | 0.2° | 0.0° |
| CAC | CAI | CAG | H5 | 0.3° | 0.2° |
| H1 | CAF | CAD | H2 | 0.1° | 0.0° |
| H4 | CAE | CAG | H5 | 0.3° | 0.2° |
