4MN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C5 | sing | 1.40Å | 1.35Å | |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C2 | C7 | sing | 1.38Å | 1.35Å | Aromatic |
| N1 | H11N | sing | 0.97Å | 1.00Å | |
| N1 | H12N | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C5 | C6 | 127.1° | 120.1° |
| N1 | C5 | C4 | 119.4° | 120.1° |
| C5 | N1 | H11N | 109.5° | 120.0° |
| C5 | N1 | H12N | 109.5° | 120.0° |
| C6 | C5 | C4 | 113.5° | 119.9° |
| C5 | C6 | C7 | 123.2° | 119.9° |
| C5 | C6 | H6 | 118.4° | 120.0° |
| C5 | C4 | C3 | 123.2° | 119.9° |
| C5 | C4 | H4 | 118.4° | 120.0° |
| C6 | C7 | C2 | 122.3° | 120.0° |
| C7 | C6 | H6 | 118.4° | 120.0° |
| C6 | C7 | H7 | 118.8° | 120.0° |
| C4 | C3 | C2 | 123.1° | 120.0° |
| C3 | C4 | H4 | 118.4° | 120.0° |
| C4 | C3 | H3 | 118.4° | 120.0° |
| C3 | C2 | C1 | 128.0° | 119.9° |
| C3 | C2 | C7 | 114.6° | 120.2° |
| C2 | C3 | H3 | 118.5° | 120.0° |
| C1 | C2 | C7 | 117.4° | 119.9° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.5° | 109.4° |
| C2 | C1 | H13C | 109.5° | 109.4° |
| C2 | C7 | H7 | 118.9° | 120.0° |
| H11N | N1 | H12N | 109.4° | 120.0° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.4° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C5 | C6 | C4 | 178.3° | 179.8° |
| N1 | C5 | C6 | C7 | 177.9° | 180.0° |
| N1 | C5 | C4 | C3 | 178.8° | 180.0° |
| C5 | N1 | H11N | H12N | 120.0° | 179.7° |
| N1 | C5 | C6 | H6 | 2.1° | 0.0° |
| N1 | C5 | C4 | H4 | 1.2° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 2.7° | 0.3° |
| C5 | C6 | C7 | C2 | 2.6° | 0.0° |
| C6 | C5 | N1 | H11N | 180.0° | 0.0° |
| C6 | C5 | N1 | H12N | 60.0° | 179.7° |
| C6 | C5 | C4 | H4 | 177.3° | 179.8° |
| C5 | C6 | C7 | H7 | 177.4° | 180.0° |
| C4 | C5 | C6 | C7 | 3.8° | 0.2° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.4° | 0.1° |
| C4 | C5 | N1 | H11N | 1.8° | 179.7° |
| C4 | C5 | N1 | H12N | 118.2° | 0.6° |
| C4 | C5 | C6 | H6 | 176.2° | 179.7° |
| C5 | C4 | C3 | H3 | 179.5° | 180.0° |
| C6 | C7 | C2 | C3 | 0.0° | 0.2° |
| C6 | C7 | C2 | C1 | 178.8° | 180.0° |
| C6 | C7 | C2 | H7 | 180.0° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 179.7° | 180.0° |
| C4 | C3 | C2 | C7 | 1.0° | 0.1° |
| C3 | C2 | C1 | C7 | 178.6° | 179.9° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| C3 | C2 | C7 | H7 | 180.0° | 179.8° |
| C3 | C2 | C1 | H11C | 90.8° | 90.0° |
| C3 | C2 | C1 | H12C | 149.2° | 150.0° |
| C3 | C2 | C1 | H13C | 29.2° | 30.1° |
| C1 | C2 | C7 | H7 | 1.2° | 0.1° |
| C1 | C2 | C3 | H3 | 0.3° | 0.1° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 120.0° |
| C2 | C1 | H12C | H13C | 120.0° | 119.9° |
| C2 | C7 | C6 | H6 | 177.4° | 180.0° |
| C7 | C2 | C3 | H3 | 179.0° | 179.7° |
| C7 | C2 | C1 | H11C | 90.6° | 90.2° |
| C7 | C2 | C1 | H12C | 29.5° | 29.8° |
| C7 | C2 | C1 | H13C | 149.5° | 149.8° |
| H6 | C6 | C7 | H7 | 2.6° | 0.0° |
| H4 | C4 | C3 | H3 | 0.5° | 0.1° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
