Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.21Å | 1.23Å | |
C1 | C2 | sing | 1.51Å | 1.53Å | |
C1 | H1 | sing | 1.08Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | H21 | sing | 1.09Å | 1.11Å | |
C2 | H22 | sing | 1.09Å | 1.11Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
C3 | H33 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 121.2° | 120.0° |
O1 | C1 | H1 | 108.6° | 120.0° |
C2 | C1 | H1 | 130.2° | 120.0° |
C1 | C2 | C3 | 113.5° | 109.5° |
C1 | C2 | H21 | 110.7° | 109.5° |
C1 | C2 | H22 | 110.7° | 109.5° |
C3 | C2 | H21 | 110.8° | 109.5° |
C3 | C2 | H22 | 110.7° | 109.4° |
C2 | C3 | H31 | 113.5° | 109.5° |
C2 | C3 | H32 | 110.7° | 109.4° |
C2 | C3 | H33 | 110.7° | 109.5° |
H21 | C2 | H22 | 99.6° | 109.4° |
H31 | C3 | H32 | 110.8° | 109.5° |
H31 | C3 | H33 | 110.7° | 109.5° |
H32 | C3 | H33 | 99.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | H1 | 180.0° | 180.0° |
O1 | C1 | C2 | C3 | 12.8° | 120.1° |
O1 | C1 | C2 | H21 | 112.5° | 0.0° |
O1 | C1 | C2 | H22 | 138.1° | 120.0° |
C1 | C2 | C3 | H21 | 125.2° | 120.1° |
C1 | C2 | C3 | H22 | 125.3° | 120.0° |
C1 | C2 | H21 | H22 | 116.6° | 120.0° |
C1 | C2 | C3 | H31 | 180.0° | 180.0° |
C1 | C2 | C3 | H32 | 54.7° | 60.0° |
C1 | C2 | C3 | H33 | 54.7° | 60.0° |
H1 | C1 | C2 | C3 | 167.2° | 60.0° |
H1 | C1 | C2 | H21 | 67.5° | 180.0° |
H1 | C1 | C2 | H22 | 42.0° | 60.0° |
C3 | C2 | H21 | H22 | 116.6° | 119.9° |
C2 | C3 | H31 | H32 | 125.3° | 120.0° |
C2 | C3 | H31 | H33 | 125.2° | 120.0° |
C2 | C3 | H32 | H33 | 116.6° | 120.0° |
H21 | C2 | C3 | H31 | 54.7° | 59.9° |
H21 | C2 | C3 | H32 | 179.9° | 60.1° |
H21 | C2 | C3 | H33 | 70.5° | 180.0° |
H22 | C2 | C3 | H31 | 54.8° | 60.0° |
H22 | C2 | C3 | H32 | 70.6° | 180.0° |
H22 | C2 | C3 | H33 | 180.0° | 60.0° |
H31 | C3 | H32 | H33 | 116.6° | 120.0° |