E5N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C31 | sing | 1.53Å | 1.53Å | |
| O31 | C3 | doub | 1.21Å | 1.25Å | |
| C31 | C3 | sing | 1.51Å | 1.48Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C3 | O32 | sing | 1.34Å | 1.25Å | |
| O41 | C4 | doub | 1.21Å | 1.25Å | |
| C32 | C41 | sing | 1.53Å | 1.54Å | |
| C4 | C41 | sing | 1.51Å | 1.52Å | |
| C4 | O42 | sing | 1.34Å | 1.25Å | |
| O42 | H1 | sing | 0.97Å | 0.95Å | |
| C41 | H2 | sing | 1.09Å | 1.10Å | |
| C41 | H3 | sing | 1.09Å | 1.10Å | |
| C32 | H4 | sing | 1.09Å | 1.10Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| O32 | H6 | sing | 0.97Å | 0.95Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C31 | C3 | 104.2° | 109.4° |
| C22 | C31 | C32 | 109.5° | 109.5° |
| C31 | C22 | H7 | 109.5° | 109.5° |
| C31 | C22 | H8 | 109.5° | 109.4° |
| C31 | C22 | H9 | 109.5° | 109.5° |
| C22 | C31 | H10 | 110.2° | 109.5° |
| O31 | C3 | C31 | 110.9° | 120.0° |
| O31 | C3 | O32 | 128.6° | 120.0° |
| C3 | C31 | C32 | 111.4° | 109.4° |
| C31 | C3 | O32 | 120.2° | 120.0° |
| C3 | C31 | H10 | 110.9° | 109.5° |
| C31 | C32 | C41 | 108.3° | 109.4° |
| C31 | C32 | H4 | 109.8° | 109.4° |
| C31 | C32 | H5 | 109.8° | 109.5° |
| C32 | C31 | H10 | 110.5° | 109.5° |
| C3 | O32 | H6 | 109.5° | 117.0° |
| O41 | C4 | C41 | 121.3° | 120.0° |
| O41 | C4 | O42 | 125.5° | 120.0° |
| C32 | C41 | C4 | 118.7° | 109.4° |
| C32 | C41 | H2 | 107.1° | 109.5° |
| C32 | C41 | H3 | 107.1° | 109.5° |
| C41 | C32 | H4 | 109.8° | 109.4° |
| C41 | C32 | H5 | 109.8° | 109.5° |
| C41 | C4 | O42 | 113.0° | 120.0° |
| C4 | C41 | H2 | 107.1° | 109.5° |
| C4 | C41 | H3 | 107.1° | 109.5° |
| C4 | O42 | H1 | 109.5° | 117.0° |
| H2 | C41 | H3 | 109.5° | 109.5° |
| H4 | C32 | H5 | 109.4° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H7 | C22 | H9 | 109.5° | 109.4° |
| H8 | C22 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C31 | C3 | O31 | 112.2° | 120.0° |
| C22 | C31 | C3 | C32 | 117.9° | 120.0° |
| C22 | C31 | C3 | H10 | 118.5° | 120.0° |
| C22 | C31 | C32 | H10 | 121.5° | 120.1° |
| C22 | C31 | C3 | O32 | 73.3° | 60.0° |
| C22 | C31 | C32 | C41 | 160.0° | 65.0° |
| C22 | C31 | C32 | H4 | 40.2° | 54.9° |
| C22 | C31 | C32 | H5 | 80.2° | 175.0° |
| C31 | C22 | H7 | H8 | 120.0° | 120.0° |
| C31 | C22 | H7 | H9 | 120.0° | 120.0° |
| C31 | C22 | H8 | H9 | 120.0° | 120.0° |
| O31 | C3 | C31 | O32 | 174.4° | 180.0° |
| O31 | C3 | C31 | C32 | 129.8° | 0.0° |
| O31 | C3 | O32 | H6 | 0.0° | 0.1° |
| O31 | C3 | C31 | H10 | 6.3° | 120.0° |
| C3 | C31 | C32 | H10 | 123.8° | 120.0° |
| C3 | C31 | C32 | C41 | 45.3° | 175.0° |
| C3 | C31 | C32 | H4 | 74.5° | 65.0° |
| C3 | C31 | C32 | H5 | 165.2° | 55.0° |
| C31 | C3 | O32 | H6 | 173.4° | 179.9° |
| C3 | C31 | C22 | H7 | 180.0° | 60.0° |
| C3 | C31 | C22 | H8 | 60.0° | 180.0° |
| C3 | C31 | C22 | H9 | 60.0° | 60.0° |
| C32 | C31 | C3 | O32 | 44.6° | 180.0° |
| C31 | C32 | C41 | H4 | 119.8° | 119.9° |
| C31 | C32 | C41 | H5 | 119.8° | 120.0° |
| C31 | C32 | C41 | C4 | 49.1° | 180.0° |
| C31 | C32 | C41 | H2 | 72.2° | 60.0° |
| C31 | C32 | C41 | H3 | 170.4° | 60.0° |
| C31 | C32 | H4 | H5 | 120.6° | 120.0° |
| C32 | C31 | C22 | H7 | 60.7° | 179.9° |
| C32 | C31 | C22 | H8 | 59.3° | 60.0° |
| C32 | C31 | C22 | H9 | 179.3° | 60.0° |
| O32 | C3 | C31 | H10 | 168.2° | 60.0° |
| O41 | C4 | C41 | C32 | 19.1° | 0.1° |
| O41 | C4 | C41 | O42 | 175.7° | 180.0° |
| O41 | C4 | O42 | H1 | 0.0° | 0.0° |
| O41 | C4 | C41 | H2 | 140.4° | 120.0° |
| O41 | C4 | C41 | H3 | 102.2° | 120.0° |
| C32 | C41 | C4 | H2 | 121.3° | 120.0° |
| C32 | C41 | C4 | H3 | 121.3° | 120.0° |
| C32 | C41 | C4 | O42 | 156.6° | 180.0° |
| C32 | C41 | H2 | H3 | 115.8° | 120.1° |
| C41 | C32 | H4 | H5 | 120.5° | 120.1° |
| C41 | C32 | C31 | H10 | 78.4° | 55.1° |
| C41 | C4 | O42 | H1 | 175.5° | 180.0° |
| C4 | C41 | H2 | H3 | 115.9° | 120.0° |
| C4 | C41 | C32 | H4 | 168.9° | 60.1° |
| C4 | C41 | C32 | H5 | 70.8° | 60.0° |
| O42 | C4 | C41 | H2 | 35.3° | 60.0° |
| O42 | C4 | C41 | H3 | 82.1° | 60.0° |
| H2 | C41 | C32 | H4 | 47.6° | 179.9° |
| H2 | C41 | C32 | H5 | 167.9° | 60.0° |
| H3 | C41 | C32 | H4 | 69.7° | 59.9° |
| H3 | C41 | C32 | H5 | 50.6° | 180.0° |
| H4 | C32 | C31 | H10 | 161.8° | 175.0° |
| H5 | C32 | C31 | H10 | 41.4° | 65.0° |
| H7 | C22 | H8 | H9 | 120.0° | 120.0° |
| H7 | C22 | C31 | H10 | 61.0° | 60.0° |
| H8 | C22 | C31 | H10 | 179.0° | 60.1° |
| H9 | C22 | C31 | H10 | 59.0° | 179.9° |
