D0M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C1 | sing | 1.47Å | 1.44Å | |
N1 | H1 | sing | 1.01Å | 1.00Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C1 | C4 | sing | 1.53Å | 1.52Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.56Å | |
C2 | 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 | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
C5 | H10 | sing | 1.09Å | 1.10Å | |
C5 | H11 | sing | 1.09Å | 1.10Å | |
C5 | H12 | sing | 1.09Å | 1.10Å | |
N1 | H13 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | N1 | H1 | 109.5° | 111.0° |
N1 | C1 | C2 | 109.4° | 109.5° |
N1 | C1 | C4 | 109.8° | 109.5° |
N1 | C1 | H2 | 108.4° | 109.5° |
C1 | N1 | H13 | 109.4° | 111.0° |
H1 | N1 | H13 | 109.4° | 111.0° |
C2 | C1 | C4 | 106.4° | 109.5° |
C2 | C1 | H2 | 111.7° | 109.5° |
C1 | C2 | C3 | 114.9° | 109.5° |
C1 | C2 | H3 | 107.7° | 109.5° |
C1 | C2 | H4 | 107.7° | 109.4° |
C4 | C1 | H2 | 111.2° | 109.5° |
C1 | C4 | C5 | 116.4° | 109.5° |
C1 | C4 | H8 | 107.2° | 109.5° |
C1 | C4 | H9 | 107.2° | 109.5° |
C3 | C2 | H3 | 107.7° | 109.5° |
C3 | C2 | H4 | 107.7° | 109.4° |
C2 | C3 | H5 | 109.5° | 109.5° |
C2 | C3 | H6 | 109.4° | 109.4° |
C2 | C3 | H7 | 109.5° | 109.5° |
H3 | C2 | H4 | 111.2° | 109.5° |
H5 | C3 | H6 | 109.5° | 109.5° |
H5 | C3 | H7 | 109.4° | 109.5° |
H6 | C3 | H7 | 109.5° | 109.5° |
C5 | C4 | H8 | 107.2° | 109.4° |
C5 | C4 | H9 | 107.3° | 109.4° |
C4 | C5 | H10 | 109.5° | 109.4° |
C4 | C5 | H11 | 109.5° | 109.4° |
C4 | C5 | H12 | 109.5° | 109.5° |
H8 | C4 | H9 | 111.6° | 109.4° |
H10 | C5 | H11 | 109.4° | 109.4° |
H10 | C5 | H12 | 109.5° | 109.5° |
H11 | C5 | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | N1 | H1 | H13 | 120.0° | 123.9° |
N1 | C1 | C2 | C4 | 118.6° | 120.0° |
N1 | C1 | C2 | H2 | 119.9° | 120.0° |
N1 | C1 | C4 | H2 | 119.9° | 120.0° |
N1 | C1 | C2 | C3 | 42.2° | 65.0° |
N1 | C1 | C2 | H3 | 77.7° | 55.0° |
N1 | C1 | C2 | H4 | 162.2° | 175.0° |
N1 | C1 | C4 | C5 | 63.0° | 65.0° |
N1 | C1 | C4 | H8 | 177.1° | 175.0° |
N1 | C1 | C4 | H9 | 57.0° | 55.0° |
H1 | N1 | C1 | C2 | 180.0° | 60.0° |
H1 | N1 | C1 | C4 | 63.5° | 60.0° |
H1 | N1 | C1 | H2 | 58.1° | 180.0° |
C2 | C1 | C4 | H2 | 121.8° | 120.0° |
C1 | C2 | C3 | H3 | 120.0° | 120.1° |
C1 | C2 | C3 | H4 | 120.0° | 119.9° |
C1 | C2 | H3 | H4 | 117.8° | 120.0° |
C1 | C2 | C3 | H5 | 180.0° | 60.0° |
C1 | C2 | C3 | H6 | 60.0° | 60.0° |
C1 | C2 | C3 | H7 | 60.0° | 180.0° |
C2 | C1 | C4 | C5 | 178.8° | 175.0° |
C2 | C1 | C4 | H8 | 58.8° | 55.0° |
C2 | C1 | C4 | H9 | 61.2° | 65.0° |
C2 | C1 | N1 | H13 | 60.0° | 64.0° |
C4 | C1 | C2 | C3 | 160.8° | 175.0° |
C4 | C1 | C2 | H3 | 40.8° | 65.0° |
C4 | C1 | C2 | H4 | 79.2° | 55.1° |
C1 | C4 | C5 | H8 | 120.0° | 120.0° |
C1 | C4 | C5 | H9 | 120.0° | 120.0° |
C1 | C4 | H8 | H9 | 117.2° | 120.0° |
C1 | C4 | C5 | H10 | 180.0° | 60.0° |
C1 | C4 | C5 | H11 | 60.0° | 60.0° |
C1 | C4 | C5 | H12 | 60.0° | 180.0° |
C4 | C1 | N1 | H13 | 56.4° | 176.1° |
H2 | C1 | C2 | C3 | 77.7° | 55.0° |
H2 | C1 | C2 | H3 | 162.3° | 175.0° |
H2 | C1 | C2 | H4 | 42.3° | 65.0° |
H2 | C1 | C4 | C5 | 56.9° | 55.0° |
H2 | C1 | C4 | H8 | 63.0° | 65.0° |
H2 | C1 | C4 | H9 | 177.0° | 175.0° |
H2 | C1 | N1 | H13 | 178.0° | 56.1° |
C3 | C2 | H3 | H4 | 117.8° | 119.9° |
C2 | C3 | H5 | H6 | 120.0° | 120.0° |
C2 | C3 | H5 | H7 | 120.0° | 120.0° |
C2 | C3 | H6 | H7 | 120.0° | 120.0° |
H3 | C2 | C3 | H5 | 60.0° | 179.9° |
H3 | C2 | C3 | H6 | 180.0° | 60.1° |
H3 | C2 | C3 | H7 | 60.0° | 59.9° |
H4 | C2 | C3 | H5 | 60.0° | 59.9° |
H4 | C2 | C3 | H6 | 60.0° | 180.0° |
H4 | C2 | C3 | H7 | 180.0° | 60.1° |
H5 | C3 | H6 | H7 | 120.0° | 120.0° |
C5 | C4 | H8 | H9 | 117.2° | 119.9° |
C4 | C5 | H10 | H11 | 120.0° | 119.9° |
C4 | C5 | H10 | H12 | 120.0° | 120.1° |
C4 | C5 | H11 | H12 | 120.0° | 120.1° |
H8 | C4 | C5 | H10 | 60.0° | 180.0° |
H8 | C4 | C5 | H11 | 180.0° | 60.1° |
H8 | C4 | C5 | H12 | 60.0° | 60.0° |
H9 | C4 | C5 | H10 | 60.0° | 60.1° |
H9 | C4 | C5 | H11 | 60.0° | 180.0° |
H9 | C4 | C5 | H12 | 180.0° | 60.0° |
H10 | C5 | H11 | H12 | 120.0° | 120.0° |