9HC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
BR | CAS | sing | 1.89Å | 1.98Å | |
CAA | CAT | sing | 1.51Å | 1.38Å | |
OAB | CAR | doub | 1.21Å | 1.22Å | |
OAC | PAY | doub | 1.57Å | 1.48Å | |
OAD | CAW | sing | 1.36Å | 1.38Å | |
OAE | PAY | sing | 1.57Å | 1.61Å | |
OAF | PAY | sing | 1.57Å | 1.62Å | |
CAH | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
CAH | CAS | sing | 1.38Å | 1.40Å | Aromatic |
CAI | CAK | sing | 1.38Å | 1.37Å | Aromatic |
CAI | CAS | doub | 1.39Å | 1.39Å | Aromatic |
CAJ | CAU | sing | 1.40Å | 1.42Å | Aromatic |
CAK | CAU | doub | 1.40Å | 1.40Å | Aromatic |
CAL | NAP | doub | 1.32Å | 1.38Å | Aromatic |
CAL | CAV | sing | 1.38Å | 1.39Å | Aromatic |
CAM | CAN | sing | 1.53Å | 1.53Å | |
CAM | CAR | sing | 1.51Å | 1.51Å | |
CAN | CAX | sing | 1.51Å | 1.44Å | |
CAO | OAQ | sing | 1.43Å | 1.40Å | |
CAO | CAV | sing | 1.51Å | 1.42Å | |
NAP | CAT | sing | 1.32Å | 1.34Å | Aromatic |
OAQ | PAY | sing | 1.61Å | 1.59Å | |
CAR | CAU | sing | 1.47Å | 1.44Å | |
CAT | CAW | doub | 1.39Å | 1.38Å | Aromatic |
CAV | CAX | doub | 1.39Å | 1.45Å | Aromatic |
CAW | CAX | sing | 1.39Å | 1.39Å | Aromatic |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
OAD | HOAD | sing | 0.97Å | 0.95Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAM | HAM | sing | 1.09Å | 1.10Å | |
CAM | HAMA | sing | 1.09Å | 1.10Å | |
CAN | HAN | sing | 1.09Å | 1.10Å | |
CAN | HANA | sing | 1.09Å | 1.10Å | |
CAO | HAO | sing | 1.09Å | 1.10Å | |
CAO | HAOA | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
BR | CAS | CAH | 125.2° | 119.8° |
BR | CAS | CAI | 115.7° | 119.8° |
CAA | CAT | NAP | 118.3° | 119.6° |
CAA | CAT | CAW | 120.4° | 119.7° |
CAT | CAA | HAA | 109.5° | 109.5° |
CAT | CAA | HAAA | 109.5° | 109.4° |
CAT | CAA | HAAB | 109.5° | 109.5° |
OAB | CAR | CAM | 119.0° | 119.9° |
OAB | CAR | CAU | 121.6° | 120.0° |
OAC | PAY | OAE | 109.6° | 109.5° |
OAC | PAY | OAF | 110.0° | 109.5° |
OAC | PAY | OAQ | 112.1° | 109.5° |
OAD | CAW | CAT | 118.9° | 120.5° |
OAD | CAW | CAX | 118.6° | 120.5° |
CAW | OAD | HOAD | 109.5° | 114.0° |
OAE | PAY | OAF | 110.5° | 109.5° |
OAE | PAY | OAQ | 105.8° | 109.5° |
OAF | PAY | OAQ | 108.8° | 109.5° |
CAJ | CAH | CAS | 118.8° | 120.2° |
CAH | CAJ | CAU | 122.7° | 119.8° |
CAJ | CAH | HAH | 120.6° | 119.9° |
CAH | CAJ | HAJ | 118.7° | 120.1° |
CAH | CAS | CAI | 119.0° | 120.3° |
CAS | CAH | HAH | 120.6° | 119.9° |
CAK | CAI | CAS | 121.7° | 120.2° |
CAI | CAK | CAU | 121.6° | 119.8° |
CAK | CAI | HAI | 119.2° | 119.9° |
CAI | CAK | HAK | 119.2° | 120.1° |
CAS | CAI | HAI | 119.1° | 119.9° |
CAJ | CAU | CAK | 116.2° | 119.7° |
CAJ | CAU | CAR | 121.5° | 120.1° |
CAU | CAJ | HAJ | 118.7° | 120.1° |
CAK | CAU | CAR | 122.3° | 120.2° |
CAU | CAK | HAK | 119.2° | 120.1° |
NAP | CAL | CAV | 122.6° | 120.9° |
CAL | NAP | CAT | 119.0° | 121.7° |
NAP | CAL | HAL | 118.7° | 119.5° |
CAL | CAV | CAO | 115.0° | 120.4° |
CAL | CAV | CAX | 118.0° | 119.3° |
CAV | CAL | HAL | 118.7° | 119.6° |
CAN | CAM | CAR | 121.9° | 109.5° |
CAM | CAN | CAX | 117.8° | 109.4° |
CAN | CAM | HAM | 106.3° | 109.5° |
CAN | CAM | HAMA | 106.3° | 109.5° |
CAM | CAN | HAN | 107.3° | 109.5° |
CAM | CAN | HANA | 107.3° | 109.5° |
CAM | CAR | CAU | 119.1° | 120.0° |
CAR | CAM | HAM | 106.3° | 109.4° |
CAR | CAM | HAMA | 106.3° | 109.5° |
CAN | CAX | CAV | 125.6° | 120.9° |
CAN | CAX | CAW | 117.0° | 120.8° |
CAX | CAN | HAN | 107.3° | 109.4° |
CAX | CAN | HANA | 107.4° | 109.5° |
OAQ | CAO | CAV | 116.4° | 109.4° |
CAO | OAQ | PAY | 118.1° | 123.0° |
OAQ | CAO | HAO | 107.7° | 109.5° |
OAQ | CAO | HAOA | 107.7° | 109.5° |
CAO | CAV | CAX | 126.9° | 120.4° |
CAV | CAO | HAO | 107.7° | 109.5° |
CAV | CAO | HAOA | 107.7° | 109.4° |
NAP | CAT | CAW | 121.3° | 120.7° |
CAT | CAW | CAX | 122.3° | 119.0° |
CAV | CAX | CAW | 116.3° | 118.3° |
HAA | CAA | HAAA | 109.5° | 109.4° |
HAA | CAA | HAAB | 109.4° | 109.5° |
HAAA | CAA | HAAB | 109.5° | 109.5° |
HAM | CAM | HAMA | 109.5° | 109.5° |
HAN | CAN | HANA | 109.5° | 109.5° |
HAO | CAO | HAOA | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
BR | CAS | CAH | CAJ | 179.7° | 180.0° |
BR | CAS | CAH | CAI | 178.6° | 179.9° |
BR | CAS | CAI | CAK | 179.6° | 180.0° |
BR | CAS | CAH | HAH | 0.3° | 0.2° |
BR | CAS | CAI | HAI | 0.4° | 0.0° |
CAA | CAT | CAW | OAD | 1.3° | 0.0° |
CAA | CAT | NAP | CAL | 178.8° | 180.0° |
CAA | CAT | NAP | CAW | 178.7° | 180.0° |
CAA | CAT | CAW | CAX | 175.5° | 180.0° |
CAT | CAA | HAA | HAAA | 120.0° | 119.9° |
CAT | CAA | HAA | HAAB | 120.0° | 120.0° |
CAT | CAA | HAAA | HAAB | 120.0° | 120.0° |
OAB | CAR | CAU | CAJ | 10.3° | 0.1° |
OAB | CAR | CAU | CAK | 168.8° | 180.0° |
OAB | CAR | CAM | CAN | 14.6° | 0.0° |
OAB | CAR | CAM | CAU | 173.5° | 179.9° |
OAB | CAR | CAM | HAM | 107.1° | 120.0° |
OAB | CAR | CAM | HAMA | 136.3° | 120.0° |
OAC | PAY | OAE | OAF | 121.4° | 120.0° |
OAC | PAY | OAE | OAQ | 121.0° | 120.0° |
OAC | PAY | OAF | OAQ | 123.1° | 120.0° |
OAC | PAY | OAQ | CAO | 177.6° | 180.0° |
OAD | CAW | CAX | CAN | 7.4° | 0.1° |
OAD | CAW | CAT | NAP | 179.9° | 180.0° |
OAD | CAW | CAT | CAX | 174.2° | 179.9° |
OAD | CAW | CAX | CAV | 176.4° | 180.0° |
OAE | PAY | OAF | OAQ | 115.8° | 120.0° |
OAE | PAY | OAQ | CAO | 63.0° | 60.0° |
OAF | PAY | OAQ | CAO | 55.8° | 60.0° |
CAJ | CAH | CAS | HAH | 180.0° | 179.7° |
CAJ | CAH | CAS | CAI | 1.1° | 0.0° |
CAH | CAJ | CAU | HAJ | 180.0° | 180.0° |
CAH | CAJ | CAU | CAK | 0.1° | 0.0° |
CAH | CAJ | CAU | CAR | 179.1° | 180.0° |
CAH | CAS | CAI | CAK | 0.9° | 0.0° |
CAS | CAH | CAJ | CAU | 0.6° | 0.0° |
CAH | CAS | CAI | HAI | 179.1° | 180.0° |
CAS | CAH | CAJ | HAJ | 179.4° | 180.0° |
CAK | CAI | CAS | HAI | 180.0° | 180.0° |
CAI | CAK | CAU | CAJ | 0.3° | 0.1° |
CAI | CAK | CAU | HAK | 180.0° | 180.0° |
CAI | CAK | CAU | CAR | 178.9° | 180.0° |
CAS | CAI | CAK | CAU | 0.2° | 0.1° |
CAI | CAS | CAH | HAH | 178.9° | 179.7° |
CAS | CAI | CAK | HAK | 179.8° | 180.0° |
CAJ | CAU | CAK | CAR | 179.2° | 179.9° |
CAJ | CAU | CAR | CAM | 176.3° | 180.0° |
CAU | CAJ | CAH | HAH | 179.4° | 179.7° |
CAJ | CAU | CAK | HAK | 179.8° | 180.0° |
CAK | CAU | CAR | CAM | 4.5° | 0.1° |
CAU | CAK | CAI | HAI | 179.8° | 180.0° |
CAK | CAU | CAJ | HAJ | 180.0° | 180.0° |
NAP | CAL | CAV | HAL | 180.0° | 179.7° |
NAP | CAL | CAV | CAO | 178.5° | 180.0° |
CAL | NAP | CAT | CAW | 0.1° | 0.0° |
NAP | CAL | CAV | CAX | 2.4° | 0.0° |
CAL | CAV | CAX | CAN | 175.4° | 180.0° |
CAL | CAV | CAO | OAQ | 109.7° | 0.0° |
CAL | CAV | CAO | CAX | 179.0° | 180.0° |
CAV | CAL | NAP | CAT | 1.5° | 0.0° |
CAL | CAV | CAX | CAW | 7.5° | 0.1° |
CAL | CAV | CAO | HAO | 11.4° | 120.0° |
CAL | CAV | CAO | HAOA | 129.3° | 120.0° |
CAN | CAM | CAR | HAM | 121.7° | 120.0° |
CAN | CAM | CAR | HAMA | 121.7° | 120.0° |
CAM | CAN | CAX | HAN | 121.2° | 119.9° |
CAM | CAN | CAX | HANA | 121.2° | 120.0° |
CAN | CAM | CAR | CAU | 171.9° | 180.0° |
CAM | CAN | CAX | CAV | 97.2° | 90.0° |
CAM | CAN | CAX | CAW | 70.6° | 90.1° |
CAN | CAM | HAM | HAMA | 114.4° | 120.0° |
CAM | CAN | HAN | HANA | 116.2° | 120.1° |
CAR | CAM | CAN | CAX | 166.6° | 180.0° |
CAR | CAM | HAM | HAMA | 114.4° | 120.0° |
CAR | CAM | CAN | HAN | 72.2° | 60.0° |
CAR | CAM | CAN | HANA | 45.4° | 60.0° |
CAN | CAX | CAV | CAO | 5.6° | 0.0° |
CAN | CAX | CAW | CAT | 178.4° | 180.0° |
CAN | CAX | CAV | CAW | 167.9° | 179.9° |
CAX | CAN | CAM | HAM | 71.7° | 60.0° |
CAX | CAN | CAM | HAMA | 44.9° | 60.0° |
CAX | CAN | HAN | HANA | 116.2° | 120.0° |
OAQ | CAO | CAV | HAO | 121.0° | 120.1° |
OAQ | CAO | CAV | HAOA | 121.0° | 120.0° |
OAQ | CAO | CAV | CAX | 69.4° | 179.9° |
OAQ | CAO | HAO | HAOA | 116.9° | 120.1° |
CAV | CAO | OAQ | PAY | 156.3° | 180.0° |
CAO | CAV | CAX | CAW | 173.5° | 180.0° |
CAO | CAV | CAL | HAL | 1.5° | 0.3° |
CAV | CAO | HAO | HAOA | 116.8° | 119.9° |
NAP | CAT | CAW | CAX | 5.9° | 0.1° |
NAP | CAT | CAA | HAA | 0.0° | 90.0° |
NAP | CAT | CAA | HAAA | 120.0° | 150.0° |
NAP | CAT | CAA | HAAB | 120.0° | 30.0° |
CAT | NAP | CAL | HAL | 178.5° | 179.7° |
PAY | OAQ | CAO | HAO | 82.7° | 60.0° |
PAY | OAQ | CAO | HAOA | 35.3° | 60.1° |
CAR | CAU | CAJ | HAJ | 0.8° | 0.1° |
CAR | CAU | CAK | HAK | 1.1° | 0.1° |
CAU | CAR | CAM | HAM | 66.4° | 60.0° |
CAU | CAR | CAM | HAMA | 50.2° | 59.9° |
CAT | CAW | CAX | CAV | 9.4° | 0.1° |
CAW | CAT | CAA | HAA | 178.7° | 89.9° |
CAW | CAT | CAA | HAAA | 58.7° | 30.0° |
CAW | CAT | CAA | HAAB | 61.3° | 150.0° |
CAT | CAW | OAD | HOAD | 180.0° | 90.1° |
CAX | CAV | CAL | HAL | 177.7° | 179.7° |
CAV | CAX | CAN | HAN | 141.6° | 30.0° |
CAV | CAX | CAN | HANA | 24.0° | 150.0° |
CAX | CAV | CAO | HAO | 169.6° | 60.0° |
CAX | CAV | CAO | HAOA | 51.7° | 60.0° |
CAX | CAW | OAD | HOAD | 5.6° | 90.0° |
CAW | CAX | CAN | HAN | 50.5° | 150.0° |
CAW | CAX | CAN | HANA | 168.1° | 30.0° |
HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
HAH | CAH | CAJ | HAJ | 0.6° | 0.3° |
HAI | CAI | CAK | HAK | 0.2° | 0.0° |
HAM | CAM | CAN | HAN | 49.5° | 59.9° |
HAM | CAM | CAN | HANA | 167.1° | 180.0° |
HAMA | CAM | CAN | HAN | 166.1° | 180.0° |
HAMA | CAM | CAN | HANA | 76.4° | 60.0° |