H4N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | doub | 1.34Å | 1.36Å | Aromatic |
| C5 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.43Å | Aromatic |
| N1 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C4 | doub | 1.41Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C1 | doub | 1.37Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | BR1 | sing | 1.89Å | 1.90Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | N1 | 110.0° | 110.0° |
| C5 | C6 | C7 | 106.9° | 107.0° |
| C6 | C5 | H3 | 125.0° | 125.0° |
| C5 | C6 | H4 | 126.6° | 126.5° |
| C5 | N1 | C4 | 109.0° | 109.8° |
| N1 | C5 | H3 | 125.0° | 125.0° |
| C5 | N1 | H6 | 125.5° | 125.0° |
| C6 | C7 | C4 | 106.8° | 106.0° |
| C6 | C7 | C8 | 134.1° | 134.0° |
| C7 | C6 | H4 | 126.6° | 126.5° |
| N1 | C4 | C7 | 107.3° | 107.2° |
| N1 | C4 | C3 | 130.5° | 133.5° |
| C4 | N1 | H6 | 125.5° | 125.1° |
| C4 | C7 | C8 | 119.0° | 120.0° |
| C7 | C4 | C3 | 122.2° | 119.3° |
| C7 | C8 | C1 | 117.7° | 119.7° |
| C7 | C8 | H5 | 121.1° | 120.2° |
| C4 | C3 | C2 | 118.0° | 119.8° |
| C4 | C3 | H2 | 121.0° | 120.1° |
| C8 | C1 | C2 | 123.1° | 120.5° |
| C8 | C1 | BR1 | 118.8° | 119.8° |
| C1 | C8 | H5 | 121.2° | 120.1° |
| C3 | C2 | C1 | 120.1° | 120.6° |
| C3 | C2 | H1 | 120.0° | 119.7° |
| C2 | C3 | H2 | 121.0° | 120.1° |
| C2 | C1 | BR1 | 118.1° | 119.7° |
| C1 | C2 | H1 | 120.0° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | N1 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | H4 | 180.0° | 179.9° |
| C6 | C5 | N1 | C4 | 0.4° | 0.0° |
| C5 | C6 | C7 | C4 | 0.2° | 0.0° |
| C5 | C6 | C7 | C8 | 179.5° | 179.7° |
| C6 | C5 | N1 | H6 | 179.6° | 180.0° |
| N1 | C5 | C6 | C7 | 0.4° | 0.0° |
| C5 | N1 | C4 | H6 | 180.0° | 180.0° |
| C5 | N1 | C4 | C7 | 0.2° | 0.0° |
| C5 | N1 | C4 | C3 | 179.7° | 180.0° |
| N1 | C5 | C6 | H4 | 179.7° | 180.0° |
| C6 | C7 | C4 | N1 | 0.0° | 0.0° |
| C6 | C7 | C4 | C8 | 179.8° | 179.7° |
| C6 | C7 | C4 | C3 | 179.9° | 180.0° |
| C6 | C7 | C8 | C1 | 179.8° | 179.9° |
| C7 | C6 | C5 | H3 | 179.6° | 180.0° |
| C6 | C7 | C8 | H5 | 0.2° | 0.0° |
| N1 | C4 | C7 | C3 | 179.9° | 180.0° |
| N1 | C4 | C7 | C8 | 179.8° | 179.7° |
| N1 | C4 | C3 | C2 | 179.8° | 180.0° |
| N1 | C4 | C3 | H2 | 0.2° | 0.1° |
| C4 | N1 | C5 | H3 | 179.6° | 180.0° |
| C4 | C7 | C8 | C1 | 0.1° | 0.6° |
| C7 | C4 | C3 | C2 | 0.1° | 0.0° |
| C7 | C4 | C3 | H2 | 180.0° | 180.0° |
| C4 | C7 | C6 | H4 | 179.8° | 180.0° |
| C4 | C7 | C8 | H5 | 179.9° | 179.6° |
| C7 | C4 | N1 | H6 | 179.8° | 180.0° |
| C8 | C7 | C4 | C3 | 0.2° | 0.3° |
| C7 | C8 | C1 | H5 | 180.0° | 179.8° |
| C7 | C8 | C1 | C2 | 0.1° | 0.5° |
| C7 | C8 | C1 | BR1 | 179.8° | 179.7° |
| C8 | C7 | C6 | H4 | 0.5° | 0.4° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.0° | 0.1° |
| C4 | C3 | C2 | H1 | 179.9° | 180.0° |
| C3 | C4 | N1 | H6 | 0.3° | 0.1° |
| C8 | C1 | C2 | C3 | 0.0° | 0.2° |
| C8 | C1 | C2 | BR1 | 179.9° | 179.8° |
| C8 | C1 | C2 | H1 | 179.9° | 179.8° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | BR1 | 179.9° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C1 | C8 | H5 | 180.0° | 179.6° |
| BR1 | C1 | C2 | H1 | 0.0° | 0.0° |
| BR1 | C1 | C8 | H5 | 0.1° | 0.2° |
| H1 | C2 | C3 | H2 | 0.1° | 0.0° |
| H3 | C5 | C6 | H4 | 0.3° | 0.1° |
| H3 | C5 | N1 | H6 | 0.4° | 0.1° |
