ENC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | N | trip | 1.14Å | 1.07Å | |
C | H | sing | 1.05Å | 1.09Å | |
N | C1 | sing | 1.43Å | 1.56Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | H11 | sing | 1.09Å | 1.11Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
C2 | H21 | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.12Å | |
C2 | H23 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | C | H | 180.0° | 180.0° |
C | N | C1 | 141.2° | 180.0° |
N | C1 | C2 | 109.6° | 109.5° |
N | C1 | H11 | 112.1° | 109.5° |
N | C1 | H12 | 112.2° | 109.5° |
C2 | C1 | H11 | 112.1° | 109.4° |
C2 | C1 | H12 | 112.1° | 109.5° |
C1 | C2 | H21 | 109.6° | 109.5° |
C1 | C2 | H22 | 112.2° | 109.5° |
C1 | C2 | H23 | 112.2° | 109.5° |
H11 | C1 | H12 | 98.3° | 109.5° |
H21 | C2 | H22 | 112.1° | 109.5° |
H21 | C2 | H23 | 112.2° | 109.4° |
H22 | C2 | H23 | 98.2° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | N | C1 | C2 | 67.6° | 0.0° |
C | N | C1 | H11 | 167.2° | 119.9° |
C | N | C1 | H12 | 57.6° | 120.0° |
H | C | N | C1 | 44.8° | 180.0° |
N | C1 | C2 | H11 | 125.2° | 120.0° |
N | C1 | C2 | H12 | 125.3° | 120.0° |
N | C1 | H11 | H12 | 118.1° | 120.0° |
N | C1 | C2 | H21 | 180.0° | 60.0° |
N | C1 | C2 | H22 | 54.7° | 60.0° |
N | C1 | C2 | H23 | 54.7° | 180.0° |
C2 | C1 | H11 | H12 | 118.1° | 120.0° |
C1 | C2 | H21 | H22 | 125.3° | 120.1° |
C1 | C2 | H21 | H23 | 125.3° | 120.0° |
C1 | C2 | H22 | H23 | 118.1° | 120.0° |
H11 | C1 | C2 | H21 | 54.8° | 59.9° |
H11 | C1 | C2 | H22 | 180.0° | 180.0° |
H11 | C1 | C2 | H23 | 70.5° | 60.0° |
H12 | C1 | C2 | H21 | 54.7° | 180.0° |
H12 | C1 | C2 | H22 | 70.5° | 60.0° |
H12 | C1 | C2 | H23 | 180.0° | 60.0° |
H21 | C2 | H22 | H23 | 118.0° | 119.9° |