XEP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | O1 | doub | 1.22Å | 1.26Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 114.7° | 109.4° |
| C1 | C2 | N1 | 98.9° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 109.1° | 109.5° |
| C3 | C2 | N1 | 115.3° | 109.5° |
| C3 | C2 | H4 | 108.8° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.4° | 109.4° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C2 | N1 | O1 | 105.3° | 120.0° |
| N1 | C2 | H4 | 109.7° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H7 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N1 | 114.0° | 120.0° |
| C1 | C2 | C3 | H4 | 122.4° | 120.0° |
| C1 | C2 | N1 | H4 | 114.1° | 120.0° |
| C1 | C2 | N1 | O1 | 114.9° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 119.9° | 120.0° |
| C1 | C2 | C3 | H5 | 180.0° | 60.0° |
| C1 | C2 | C3 | H6 | 60.0° | 180.0° |
| C1 | C2 | C3 | H7 | 60.0° | 60.0° |
| C3 | C2 | N1 | H4 | 123.2° | 120.0° |
| C3 | C2 | N1 | O1 | 122.4° | 120.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H7 | 120.0° | 120.0° |
| C2 | C3 | H6 | H7 | 120.0° | 119.9° |
| N1 | C2 | C1 | H1 | 56.7° | 60.0° |
| N1 | C2 | C1 | H2 | 176.7° | 60.0° |
| N1 | C2 | C1 | H3 | 63.3° | 180.0° |
| N1 | C2 | C3 | H5 | 66.0° | 60.0° |
| N1 | C2 | C3 | H6 | 54.0° | 60.0° |
| N1 | C2 | C3 | H7 | 174.0° | 180.0° |
| O1 | N1 | C2 | H4 | 0.8° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 57.8° | 59.9° |
| H2 | C1 | C2 | H4 | 62.2° | 180.0° |
| H3 | C1 | C2 | H4 | 177.8° | 60.0° |
| H4 | C2 | C3 | H5 | 57.6° | 180.0° |
| H4 | C2 | C3 | H6 | 177.6° | 59.9° |
| H4 | C2 | C3 | H7 | 62.4° | 60.0° |
| H5 | C3 | H6 | H7 | 120.0° | 120.1° |
