Obsolete: ETH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | H11 | sing | 1.09Å | 1.12Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C2 | H21 | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.12Å | |
C2 | H23 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | H11 | 111.6° | 109.5° |
C2 | C1 | H12 | 107.3° | 109.5° |
C1 | C2 | H21 | 107.3° | 109.5° |
C1 | C2 | H22 | 113.0° | 109.5° |
C1 | C2 | H23 | 113.0° | 109.5° |
H11 | C1 | H12 | 111.6° | 109.4° |
H21 | C2 | H22 | 113.0° | 109.5° |
H21 | C2 | H23 | 113.1° | 109.4° |
H22 | C2 | H23 | 97.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | H11 | H12 | 120.0° | 120.0° |
C1 | C2 | H21 | H22 | 125.2° | 120.0° |
C1 | C2 | H21 | H23 | 125.3° | 120.0° |
C1 | C2 | H22 | H23 | 118.9° | 120.0° |
H11 | C1 | C2 | H21 | 57.5° | 60.0° |
H11 | C1 | C2 | H22 | 177.3° | 60.0° |
H11 | C1 | C2 | H23 | 67.8° | 180.0° |
H12 | C1 | C2 | H21 | 65.0° | 180.0° |
H12 | C1 | C2 | H22 | 60.2° | 60.0° |
H12 | C1 | C2 | H23 | 169.7° | 60.0° |
H21 | C2 | H22 | H23 | 119.0° | 120.0° |