DMN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.47Å | 1.48Å | |
N1 | C3 | sing | 1.47Å | 1.49Å | |
N1 | HN1 | sing | 1.01Å | 1.02Å | |
C2 | H21 | sing | 1.09Å | 1.11Å | |
C2 | H22 | sing | 1.09Å | 1.11Å | |
C2 | H23 | sing | 1.09Å | 1.12Å | |
C3 | H31 | sing | 1.09Å | 1.12Å | |
C3 | H32 | sing | 1.09Å | 1.12Å | |
C3 | H33 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C3 | 112.8° | 106.7° |
C2 | N1 | HN1 | 111.0° | 106.7° |
N1 | C2 | H21 | 112.8° | 109.5° |
N1 | C2 | H22 | 111.0° | 109.5° |
N1 | C2 | H23 | 111.0° | 109.5° |
C3 | N1 | HN1 | 111.0° | 106.7° |
N1 | C3 | H31 | 112.9° | 109.5° |
N1 | C3 | H32 | 111.0° | 109.5° |
N1 | C3 | H33 | 111.0° | 109.5° |
H21 | C2 | H22 | 111.0° | 109.4° |
H21 | C2 | H23 | 111.0° | 109.5° |
H22 | C2 | H23 | 99.3° | 109.5° |
H31 | C3 | H32 | 111.0° | 109.5° |
H31 | C3 | H33 | 110.9° | 109.4° |
H32 | C3 | H33 | 99.3° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | N1 | C3 | HN1 | 125.2° | 113.9° |
N1 | C2 | H21 | H22 | 125.3° | 120.0° |
N1 | C2 | H21 | H23 | 125.3° | 120.1° |
N1 | C2 | H22 | H23 | 116.8° | 120.0° |
C2 | N1 | C3 | H31 | 180.0° | 180.0° |
C2 | N1 | C3 | H32 | 54.7° | 60.0° |
C2 | N1 | C3 | H33 | 54.7° | 60.0° |
C3 | N1 | C2 | H21 | 180.0° | 180.0° |
C3 | N1 | C2 | H22 | 54.7° | 60.0° |
C3 | N1 | C2 | H23 | 54.7° | 60.0° |
N1 | C3 | H31 | H32 | 125.3° | 120.1° |
N1 | C3 | H31 | H33 | 125.3° | 120.0° |
N1 | C3 | H32 | H33 | 116.9° | 120.0° |
HN1 | N1 | C2 | H21 | 54.8° | 66.1° |
HN1 | N1 | C2 | H22 | 179.9° | 53.8° |
HN1 | N1 | C2 | H23 | 70.5° | 173.8° |
HN1 | N1 | C3 | H31 | 54.8° | 66.1° |
HN1 | N1 | C3 | H32 | 70.5° | 173.8° |
HN1 | N1 | C3 | H33 | 180.0° | 53.8° |
H21 | C2 | H22 | H23 | 116.9° | 119.9° |
H31 | C3 | H32 | H33 | 116.8° | 119.9° |