Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.51Å | 1.55Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C5 | O1 | sing | 1.34Å | 1.29Å | |
C5 | O2 | doub | 1.21Å | 1.29Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | H11 | 109.5° | 109.5° |
C2 | C1 | H12 | 109.4° | 109.5° |
C2 | C1 | H13 | 109.5° | 109.5° |
C1 | C2 | C3 | 110.6° | 109.5° |
C1 | C2 | H21 | 109.1° | 109.4° |
C1 | C2 | H22 | 108.9° | 109.4° |
H11 | C1 | H12 | 109.4° | 109.5° |
H11 | C1 | H13 | 109.5° | 109.5° |
H12 | C1 | H13 | 109.5° | 109.4° |
C3 | C2 | H21 | 109.1° | 109.5° |
C3 | C2 | H22 | 108.8° | 109.5° |
C2 | C3 | C4 | 110.4° | 109.5° |
C2 | C3 | H31 | 109.2° | 109.5° |
C2 | C3 | H32 | 109.0° | 109.5° |
H21 | C2 | H22 | 110.4° | 109.5° |
C4 | C3 | H31 | 109.2° | 109.4° |
C4 | C3 | H32 | 109.0° | 109.4° |
C3 | C4 | C5 | 110.8° | 109.5° |
C3 | C4 | H41 | 109.0° | 109.5° |
C3 | C4 | H42 | 108.7° | 109.5° |
H31 | C3 | H32 | 110.2° | 109.5° |
C5 | C4 | H41 | 109.1° | 109.5° |
C5 | C4 | H42 | 108.7° | 109.5° |
C4 | C5 | O1 | 120.2° | 120.1° |
C4 | C5 | O2 | 120.5° | 120.0° |
H41 | C4 | H42 | 110.5° | 109.4° |
O1 | C5 | O2 | 119.4° | 120.0° |
C5 | O1 | HO1 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | H11 | H12 | 120.0° | 120.0° |
C2 | C1 | H11 | H13 | 120.0° | 120.0° |
C2 | C1 | H12 | H13 | 120.0° | 120.0° |
C1 | C2 | C3 | H21 | 120.0° | 120.0° |
C1 | C2 | C3 | H22 | 119.5° | 120.0° |
C1 | C2 | H21 | H22 | 119.6° | 120.0° |
C1 | C2 | C3 | C4 | 164.0° | 180.0° |
C1 | C2 | C3 | H31 | 76.0° | 60.0° |
C1 | C2 | C3 | H32 | 44.4° | 60.0° |
H11 | C1 | H12 | H13 | 120.0° | 120.0° |
H11 | C1 | C2 | C3 | 13.9° | 180.0° |
H11 | C1 | C2 | H21 | 133.9° | 60.0° |
H11 | C1 | C2 | H22 | 105.7° | 60.0° |
H12 | C1 | C2 | C3 | 133.8° | 60.0° |
H12 | C1 | C2 | H21 | 106.2° | 60.0° |
H12 | C1 | C2 | H22 | 14.3° | 180.0° |
H13 | C1 | C2 | C3 | 106.2° | 60.0° |
H13 | C1 | C2 | H21 | 13.8° | 180.0° |
H13 | C1 | C2 | H22 | 134.3° | 60.0° |
C3 | C2 | H21 | H22 | 119.6° | 120.0° |
C2 | C3 | C4 | H31 | 120.0° | 120.0° |
C2 | C3 | C4 | H32 | 119.6° | 120.0° |
C2 | C3 | H31 | H32 | 119.6° | 120.0° |
C2 | C3 | C4 | C5 | 173.7° | 180.0° |
C2 | C3 | C4 | H41 | 66.3° | 60.0° |
C2 | C3 | C4 | H42 | 54.2° | 60.0° |
H21 | C2 | C3 | C4 | 44.0° | 60.0° |
H21 | C2 | C3 | H31 | 164.0° | 180.0° |
H21 | C2 | C3 | H32 | 75.6° | 60.0° |
H22 | C2 | C3 | C4 | 76.5° | 60.0° |
H22 | C2 | C3 | H31 | 43.5° | 60.0° |
H22 | C2 | C3 | H32 | 163.9° | 180.0° |
C4 | C3 | H31 | H32 | 119.6° | 120.0° |
C3 | C4 | C5 | H41 | 120.0° | 120.0° |
C3 | C4 | C5 | H42 | 119.4° | 120.0° |
C3 | C4 | H41 | H42 | 119.4° | 120.0° |
C3 | C4 | C5 | O1 | 132.4° | 180.0° |
C3 | C4 | C5 | O2 | 46.9° | 0.0° |
H31 | C3 | C4 | C5 | 53.7° | 60.0° |
H31 | C3 | C4 | H41 | 173.7° | 180.0° |
H31 | C3 | C4 | H42 | 65.8° | 60.0° |
H32 | C3 | C4 | C5 | 66.7° | 60.0° |
H32 | C3 | C4 | H41 | 53.3° | 60.0° |
H32 | C3 | C4 | H42 | 173.9° | 180.0° |
C5 | C4 | H41 | H42 | 119.5° | 120.0° |
C4 | C5 | O1 | O2 | 179.3° | 180.0° |
C4 | C5 | O1 | HO1 | 179.3° | 180.0° |
H41 | C4 | C5 | O1 | 107.6° | 60.0° |
H41 | C4 | C5 | O2 | 73.1° | 120.0° |
H42 | C4 | C5 | O1 | 13.0° | 60.0° |
H42 | C4 | C5 | O2 | 166.3° | 120.0° |
O2 | C5 | O1 | HO1 | 0.0° | 0.0° |