N3D
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.47Å | 1.52Å | |
C2 | C3 | sing | 1.53Å | 1.48Å | |
C3 | C4 | sing | 1.53Å | 1.51Å | |
C4 | N5 | sing | 1.47Å | 1.52Å | |
N5 | C6 | sing | 1.47Å | 1.51Å | |
N1 | HN1 | sing | 1.01Å | 1.00Å | |
N1 | HN1A | sing | 1.01Å | 1.00Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
N5 | HN5 | sing | 1.01Å | 1.00Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
C6 | H6B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C2 | C3 | 107.9° | 109.5° |
C2 | N1 | HN1 | 109.5° | 111.0° |
C2 | N1 | HN1A | 109.4° | 110.9° |
N1 | C2 | H2 | 110.0° | 109.4° |
N1 | C2 | H2A | 110.4° | 109.4° |
C2 | C3 | C4 | 112.6° | 109.5° |
C3 | C2 | H2 | 110.0° | 109.5° |
C3 | C2 | H2A | 110.4° | 109.5° |
C2 | C3 | H3 | 108.4° | 109.5° |
C2 | C3 | H3A | 107.7° | 109.5° |
C3 | C4 | N5 | 109.6° | 109.5° |
C4 | C3 | H3 | 108.4° | 109.5° |
C4 | C3 | H3A | 107.7° | 109.4° |
C3 | C4 | H4 | 109.4° | 109.5° |
C3 | C4 | H4A | 109.4° | 109.5° |
C4 | N5 | C6 | 108.9° | 111.1° |
N5 | C4 | H4 | 109.4° | 109.5° |
N5 | C4 | H4A | 109.4° | 109.4° |
C4 | N5 | HN5 | 109.6° | 111.0° |
C6 | N5 | HN5 | 109.7° | 110.9° |
N5 | C6 | H6 | 109.5° | 109.5° |
N5 | C6 | H6A | 109.4° | 109.4° |
N5 | C6 | H6B | 109.4° | 109.5° |
HN1 | N1 | HN1A | 109.5° | 111.0° |
H2 | C2 | H2A | 108.2° | 109.5° |
H3 | C3 | H3A | 112.0° | 109.5° |
H4 | C4 | H4A | 109.5° | 109.4° |
H6 | C6 | H6A | 109.5° | 109.5° |
H6 | C6 | H6B | 109.5° | 109.5° |
H6A | C6 | H6B | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C2 | C3 | H2 | 120.0° | 120.0° |
N1 | C2 | C3 | H2A | 120.7° | 119.9° |
N1 | C2 | C3 | C4 | 177.5° | 180.0° |
C2 | N1 | HN1 | HN1A | 120.0° | 123.9° |
N1 | C2 | H2 | H2A | 120.7° | 119.9° |
N1 | C2 | C3 | H3 | 57.5° | 60.0° |
N1 | C2 | C3 | H3A | 63.8° | 60.1° |
C2 | C3 | C4 | H3 | 120.0° | 120.0° |
C2 | C3 | C4 | H3A | 118.6° | 120.0° |
C2 | C3 | C4 | N5 | 151.2° | 180.0° |
C3 | C2 | N1 | HN1 | 61.5° | 180.0° |
C3 | C2 | N1 | HN1A | 58.5° | 56.1° |
C3 | C2 | H2 | H2A | 120.7° | 120.1° |
C2 | C3 | H3 | H3A | 118.7° | 120.0° |
C2 | C3 | C4 | H4 | 31.2° | 60.0° |
C2 | C3 | C4 | H4A | 88.8° | 60.0° |
C3 | C4 | N5 | H4 | 120.0° | 120.1° |
C3 | C4 | N5 | H4A | 119.9° | 120.0° |
C3 | C4 | N5 | C6 | 174.2° | 180.0° |
C4 | C3 | C2 | H2 | 62.4° | 60.0° |
C4 | C3 | C2 | H2A | 56.9° | 60.1° |
C4 | C3 | H3 | H3A | 118.7° | 120.0° |
C3 | C4 | H4 | H4A | 119.9° | 120.0° |
C3 | C4 | N5 | HN5 | 54.1° | 56.1° |
C4 | N5 | C6 | HN5 | 120.0° | 124.0° |
N5 | C4 | C3 | H3 | 88.8° | 60.0° |
N5 | C4 | C3 | H3A | 32.6° | 60.0° |
N5 | C4 | H4 | H4A | 120.0° | 119.9° |
C4 | N5 | C6 | H6 | 27.6° | 180.0° |
C4 | N5 | C6 | H6A | 147.6° | 60.0° |
C4 | N5 | C6 | H6B | 92.3° | 60.0° |
C6 | N5 | C4 | H4 | 65.8° | 59.9° |
C6 | N5 | C4 | H4A | 54.2° | 59.9° |
N5 | C6 | H6 | H6A | 120.0° | 120.0° |
N5 | C6 | H6 | H6B | 120.0° | 120.0° |
N5 | C6 | H6A | H6B | 120.0° | 120.0° |
HN1 | N1 | C2 | H2 | 58.5° | 59.9° |
HN1 | N1 | C2 | H2A | 177.9° | 60.0° |
HN1A | N1 | C2 | H2 | 178.5° | 64.0° |
HN1A | N1 | C2 | H2A | 62.1° | 176.1° |
H2 | C2 | C3 | H3 | 177.5° | 180.0° |
H2 | C2 | C3 | H3A | 56.2° | 59.9° |
H2A | C2 | C3 | H3 | 63.1° | 60.0° |
H2A | C2 | C3 | H3A | 175.5° | 180.0° |
H3 | C3 | C4 | H4 | 151.2° | 180.0° |
H3 | C3 | C4 | H4A | 31.2° | 60.0° |
H3A | C3 | C4 | H4 | 87.4° | 60.0° |
H3A | C3 | C4 | H4A | 152.6° | 180.0° |
H4 | C4 | N5 | HN5 | 174.2° | 176.1° |
H4A | C4 | N5 | HN5 | 65.8° | 64.0° |
HN5 | N5 | C6 | H6 | 92.4° | 56.0° |
HN5 | N5 | C6 | H6A | 27.6° | 176.1° |
HN5 | N5 | C6 | H6B | 147.7° | 64.0° |
H6 | C6 | H6A | H6B | 120.0° | 120.0° |