N3W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CL1 | CAD | sing | 1.74Å | 1.72Å | |
NAM | CAE | sing | 1.40Å | 1.32Å | |
NAH | NAI | sing | 1.28Å | 1.28Å | Aromatic |
NAH | CAG | doub | 1.31Å | 1.33Å | Aromatic |
NAI | CAJ | doub | 1.31Å | 1.34Å | Aromatic |
CAD | CAE | doub | 1.39Å | 1.40Å | Aromatic |
CAD | CAC | sing | 1.39Å | 1.39Å | Aromatic |
CAE | CAF | sing | 1.39Å | 1.36Å | Aromatic |
CAG | CAC | sing | 1.48Å | 1.35Å | |
CAG | NAK | sing | 1.37Å | 1.32Å | Aromatic |
CAC | CAB | doub | 1.40Å | 1.38Å | Aromatic |
CAJ | NAK | sing | 1.36Å | 1.34Å | Aromatic |
CAF | CAA | doub | 1.38Å | 1.37Å | Aromatic |
CAB | CAA | sing | 1.38Å | 1.38Å | Aromatic |
NAM | H1 | sing | 0.97Å | 1.00Å | |
NAM | H2 | sing | 0.97Å | 1.00Å | |
CAF | H3 | sing | 1.08Å | 1.08Å | |
CAA | H4 | sing | 1.08Å | 1.08Å | |
CAB | H5 | sing | 1.08Å | 1.08Å | |
NAK | H6 | sing | 0.97Å | 1.00Å | |
CAJ | H7 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CL1 | CAD | CAE | 114.3° | 120.1° |
CL1 | CAD | CAC | 125.9° | 120.1° |
NAM | CAE | CAD | 117.5° | 120.0° |
NAM | CAE | CAF | 121.6° | 120.1° |
CAE | NAM | H1 | 109.5° | 120.0° |
CAE | NAM | H2 | 109.5° | 120.0° |
NAI | NAH | CAG | 108.0° | 109.7° |
NAH | NAI | CAJ | 109.1° | 110.1° |
NAH | CAG | CAC | 127.7° | 126.6° |
NAH | CAG | NAK | 109.3° | 107.0° |
NAI | CAJ | NAK | 107.6° | 107.5° |
NAI | CAJ | H7 | 126.2° | 126.3° |
CAE | CAD | CAC | 119.8° | 119.8° |
CAD | CAE | CAF | 120.9° | 119.9° |
CAD | CAC | CAG | 126.4° | 120.1° |
CAD | CAC | CAB | 118.6° | 119.8° |
CAE | CAF | CAA | 119.3° | 120.3° |
CAE | CAF | H3 | 120.4° | 119.9° |
CAC | CAG | NAK | 123.0° | 126.5° |
CAG | CAC | CAB | 115.0° | 120.1° |
CAG | NAK | CAJ | 106.1° | 105.8° |
CAG | NAK | H6 | 127.0° | 127.1° |
CAC | CAB | CAA | 120.4° | 120.0° |
CAC | CAB | H5 | 119.8° | 119.9° |
CAJ | NAK | H6 | 126.9° | 127.1° |
NAK | CAJ | H7 | 126.2° | 126.2° |
CAF | CAA | CAB | 121.1° | 120.3° |
CAA | CAF | H3 | 120.3° | 119.9° |
CAF | CAA | H4 | 119.5° | 119.9° |
CAB | CAA | H4 | 119.5° | 119.9° |
CAA | CAB | H5 | 119.8° | 120.0° |
H1 | NAM | H2 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CL1 | CAD | CAE | NAM | 3.1° | 0.0° |
CL1 | CAD | CAE | CAC | 179.6° | 179.7° |
CL1 | CAD | CAE | CAF | 179.6° | 180.0° |
CL1 | CAD | CAC | CAG | 1.0° | 0.0° |
CL1 | CAD | CAC | CAB | 179.9° | 179.7° |
NAM | CAE | CAD | CAF | 177.3° | 180.0° |
NAM | CAE | CAD | CAC | 176.5° | 179.7° |
NAM | CAE | CAF | CAA | 176.9° | 180.0° |
CAE | NAM | H1 | H2 | 120.0° | 179.9° |
NAM | CAE | CAF | H3 | 3.1° | 0.1° |
NAI | NAH | CAG | CAC | 178.4° | 179.8° |
NAI | NAH | CAG | NAK | 1.3° | 0.4° |
NAH | NAI | CAJ | NAK | 2.5° | 0.3° |
NAH | NAI | CAJ | H7 | 177.5° | 179.7° |
CAG | NAH | NAI | CAJ | 2.3° | 0.4° |
NAH | CAG | CAC | CAD | 54.6° | 0.3° |
NAH | CAG | CAC | NAK | 179.7° | 179.7° |
NAH | CAG | CAC | CAB | 124.3° | 180.0° |
NAH | CAG | NAK | CAJ | 0.2° | 0.2° |
NAH | CAG | NAK | H6 | 179.8° | 179.8° |
NAI | CAJ | NAK | CAG | 1.6° | 0.0° |
NAI | CAJ | NAK | H7 | 180.0° | 180.0° |
NAI | CAJ | NAK | H6 | 178.4° | 180.0° |
CAE | CAD | CAC | CAG | 179.5° | 179.7° |
CAE | CAD | CAC | CAB | 0.6° | 0.6° |
CAD | CAE | CAF | CAA | 0.3° | 0.0° |
CAD | CAE | NAM | H1 | 180.0° | 0.1° |
CAD | CAE | NAM | H2 | 60.0° | 180.0° |
CAD | CAE | CAF | H3 | 179.7° | 179.9° |
CAC | CAD | CAE | CAF | 0.8° | 0.3° |
CAD | CAC | CAG | CAB | 179.0° | 179.7° |
CAD | CAC | CAG | NAK | 125.7° | 180.0° |
CAD | CAC | CAB | CAA | 0.2° | 0.6° |
CAD | CAC | CAB | H5 | 179.8° | 179.7° |
CAE | CAF | CAA | H3 | 180.0° | 179.9° |
CAE | CAF | CAA | CAB | 0.5° | 0.0° |
CAF | CAE | NAM | H1 | 2.8° | 180.0° |
CAF | CAE | NAM | H2 | 122.8° | 0.1° |
CAE | CAF | CAA | H4 | 179.5° | 180.0° |
CAC | CAG | NAK | CAJ | 179.9° | 180.0° |
CAG | CAC | CAB | CAA | 178.9° | 179.7° |
CAG | CAC | CAB | H5 | 1.1° | 0.0° |
CAC | CAG | NAK | H6 | 0.1° | 0.0° |
NAK | CAG | CAC | CAB | 55.4° | 0.2° |
CAG | NAK | CAJ | H6 | 180.0° | 180.0° |
CAG | NAK | CAJ | H7 | 178.4° | 179.9° |
CAC | CAB | CAA | CAF | 0.7° | 0.3° |
CAC | CAB | CAA | H5 | 180.0° | 179.7° |
CAC | CAB | CAA | H4 | 179.3° | 179.8° |
CAF | CAA | CAB | H4 | 180.0° | 180.0° |
CAF | CAA | CAB | H5 | 179.3° | 180.0° |
CAB | CAA | CAF | H3 | 179.5° | 179.9° |
H3 | CAF | CAA | H4 | 0.4° | 0.0° |
H4 | CAA | CAB | H5 | 0.7° | 0.1° |
H6 | NAK | CAJ | H7 | 1.6° | 0.1° |