2C7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAE | CAA | sing | 1.54Å | 1.54Å | |
CAE | CAF | sing | 1.51Å | 1.54Å | |
CAA | CAB | sing | 1.46Å | 1.54Å | |
CAB | CAC | sing | 1.54Å | 1.54Å | |
CAC | CAD | sing | 1.50Å | 1.54Å | |
CAD | CAG | sing | 1.54Å | 1.54Å | |
CAG | CAF | sing | 1.54Å | 1.55Å | |
CAF | CAH | sing | 1.53Å | 1.53Å | |
CAH | CAI | sing | 1.51Å | 1.55Å | |
CAI | CAJ | doub | 1.32Å | 1.35Å | |
CAI | SAP | sing | 1.78Å | 1.71Å | |
CAJ | CAK | sing | 1.47Å | 1.36Å | |
SAP | OAO | doub | 1.42Å | 1.51Å | |
SAP | OAW | doub | 1.42Å | 1.50Å | |
SAP | CAQ | sing | 1.77Å | 1.71Å | |
CAQ | CAR | doub | 1.36Å | 1.40Å | Aromatic |
CAQ | CAK | sing | 1.40Å | 1.40Å | Aromatic |
CAR | CAS | sing | 1.39Å | 1.40Å | Aromatic |
CAK | CAL | doub | 1.41Å | 1.40Å | Aromatic |
CAL | CAM | sing | 1.37Å | 1.39Å | Aromatic |
CAM | CAS | doub | 1.39Å | 1.39Å | Aromatic |
CAS | OAT | sing | 1.36Å | 1.38Å | |
OAT | SAU | sing | 1.52Å | 1.47Å | |
SAU | OAA | doub | 1.42Å | 1.50Å | |
SAU | OAN | doub | 1.42Å | 1.49Å | |
SAU | NAV | sing | 1.66Å | 1.59Å | |
CAE | HAE | sing | 1.09Å | 1.10Å | |
CAE | HAEA | sing | 1.09Å | 1.10Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAB | HAB | sing | 1.09Å | 1.10Å | |
CAB | HABA | sing | 1.09Å | 1.10Å | |
CAC | HAC | sing | 1.09Å | 1.10Å | |
CAC | HACA | sing | 1.09Å | 1.10Å | |
CAD | HAD | sing | 1.09Å | 1.10Å | |
CAD | HADA | sing | 1.09Å | 1.10Å | |
CAG | HAG | sing | 1.09Å | 1.10Å | |
CAG | HAGA | sing | 1.09Å | 1.10Å | |
CAF | HAF | sing | 1.09Å | 1.10Å | |
CAH | HAH | sing | 1.09Å | 1.10Å | |
CAH | HAHA | sing | 1.09Å | 1.10Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAR | HAR | sing | 1.08Å | 1.08Å | |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAM | HAM | sing | 1.08Å | 1.08Å | |
NAV | HNAV | sing | 0.97Å | 1.00Å | |
NAV | HNAA | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | CAE | CAF | 111.9° | 108.5° |
CAE | CAA | CAB | 112.4° | 112.4° |
CAA | CAE | HAE | 108.7° | 109.6° |
CAA | CAE | HAEA | 108.1° | 109.6° |
CAE | CAA | HAA | 108.5° | 108.9° |
CAE | CAA | HAAA | 107.9° | 108.9° |
CAE | CAF | CAG | 110.1° | 112.5° |
CAE | CAF | CAH | 106.3° | 108.9° |
CAF | CAE | HAE | 108.6° | 109.6° |
CAF | CAE | HAEA | 108.1° | 109.6° |
CAE | CAF | HAF | 112.6° | 108.9° |
CAA | CAB | CAC | 111.7° | 112.4° |
CAB | CAA | HAA | 108.5° | 108.9° |
CAB | CAA | HAAA | 107.8° | 108.9° |
CAA | CAB | HAB | 108.8° | 108.9° |
CAA | CAB | HABA | 108.2° | 108.9° |
CAB | CAC | CAD | 112.0° | 108.6° |
CAC | CAB | HAB | 108.7° | 108.9° |
CAC | CAB | HABA | 108.3° | 108.9° |
CAB | CAC | HAC | 108.6° | 109.6° |
CAB | CAC | HACA | 108.1° | 109.6° |
CAC | CAD | CAG | 115.1° | 112.5° |
CAD | CAC | HAC | 108.6° | 109.6° |
CAD | CAC | HACA | 108.1° | 109.6° |
CAC | CAD | HAD | 107.6° | 108.9° |
CAC | CAD | HADA | 106.3° | 108.8° |
CAD | CAG | CAF | 116.2° | 112.8° |
CAG | CAD | HAD | 107.6° | 108.9° |
CAG | CAD | HADA | 106.4° | 108.9° |
CAD | CAG | HAG | 107.3° | 108.8° |
CAD | CAG | HAGA | 105.7° | 108.8° |
CAG | CAF | CAH | 113.3° | 108.9° |
CAF | CAG | HAG | 107.3° | 108.8° |
CAF | CAG | HAGA | 105.8° | 108.8° |
CAG | CAF | HAF | 105.4° | 108.9° |
CAF | CAH | CAI | 119.7° | 109.4° |
CAH | CAF | HAF | 109.3° | 108.8° |
CAF | CAH | HAH | 106.2° | 109.5° |
CAF | CAH | HAHA | 103.8° | 109.4° |
CAH | CAI | CAJ | 129.8° | 128.0° |
CAH | CAI | SAP | 123.5° | 128.0° |
CAI | CAH | HAH | 106.2° | 109.5° |
CAI | CAH | HAHA | 103.8° | 109.5° |
CAJ | CAI | SAP | 106.6° | 104.0° |
CAI | CAJ | CAK | 116.8° | 119.2° |
CAI | CAJ | HAJ | 121.6° | 120.4° |
CAI | SAP | OAO | 108.9° | 107.7° |
CAI | SAP | OAW | 112.5° | 107.7° |
CAI | SAP | CAQ | 96.6° | 98.6° |
CAJ | CAK | CAQ | 114.8° | 114.4° |
CAJ | CAK | CAL | 128.3° | 128.6° |
CAK | CAJ | HAJ | 121.6° | 120.4° |
OAO | SAP | OAW | 113.0° | 124.2° |
OAO | SAP | CAQ | 113.2° | 107.7° |
OAW | SAP | CAQ | 111.5° | 107.8° |
SAP | CAQ | CAR | 133.0° | 133.9° |
SAP | CAQ | CAK | 105.2° | 103.7° |
CAR | CAQ | CAK | 121.8° | 122.4° |
CAQ | CAR | CAS | 120.4° | 119.8° |
CAQ | CAR | HAR | 119.8° | 120.1° |
CAQ | CAK | CAL | 116.9° | 117.0° |
CAR | CAS | CAM | 118.0° | 119.2° |
CAR | CAS | OAT | 119.5° | 120.4° |
CAS | CAR | HAR | 119.8° | 120.1° |
CAK | CAL | CAM | 121.5° | 120.7° |
CAK | CAL | HAL | 119.3° | 119.6° |
CAL | CAM | CAS | 121.4° | 121.0° |
CAM | CAL | HAL | 119.3° | 119.7° |
CAL | CAM | HAM | 119.3° | 119.5° |
CAM | CAS | OAT | 122.4° | 120.3° |
CAS | CAM | HAM | 119.3° | 119.5° |
CAS | OAT | SAU | 128.2° | 114.0° |
OAT | SAU | OAA | 111.8° | 106.4° |
OAT | SAU | OAN | 111.4° | 106.4° |
OAT | SAU | NAV | 104.3° | 107.2° |
OAA | SAU | OAN | 110.1° | 123.1° |
OAA | SAU | NAV | 107.7° | 106.4° |
OAN | SAU | NAV | 111.3° | 106.3° |
SAU | NAV | HNAV | 109.5° | 120.0° |
SAU | NAV | HNAA | 109.5° | 120.0° |
HAE | CAE | HAEA | 111.4° | 109.8° |
HAA | CAA | HAAA | 111.8° | 108.8° |
HAB | CAB | HABA | 111.2° | 108.8° |
HAC | CAC | HACA | 111.5° | 109.8° |
HAD | CAD | HADA | 114.0° | 108.8° |
HAG | CAG | HAGA | 114.9° | 108.7° |
HAH | CAH | HAHA | 117.9° | 109.5° |
HNAV | NAV | HNAA | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAA | CAE | CAF | HAE | 120.0° | 119.7° |
CAA | CAE | CAF | HAEA | 118.9° | 119.7° |
CAE | CAA | CAB | HAA | 120.0° | 120.7° |
CAE | CAA | CAB | HAAA | 118.8° | 120.8° |
CAE | CAA | CAB | CAC | 59.6° | 61.9° |
CAA | CAE | CAF | CAG | 94.3° | 94.2° |
CAA | CAE | CAF | CAH | 142.6° | 145.1° |
CAA | CAE | HAE | HAEA | 119.0° | 120.5° |
CAE | CAA | HAA | HAAA | 118.8° | 118.5° |
CAE | CAA | CAB | HAB | 179.6° | 177.4° |
CAE | CAA | CAB | HABA | 59.4° | 58.8° |
CAA | CAE | CAF | HAF | 23.0° | 26.7° |
CAF | CAE | CAA | CAB | 78.4° | 80.0° |
CAE | CAF | CAG | CAD | 46.8° | 41.7° |
CAE | CAF | CAG | CAH | 118.9° | 120.7° |
CAE | CAF | CAG | HAF | 121.6° | 120.8° |
CAE | CAF | CAH | HAF | 121.7° | 118.5° |
CAE | CAF | CAH | CAI | 140.6° | 175.0° |
CAF | CAE | HAE | HAEA | 119.0° | 120.5° |
CAF | CAE | CAA | HAA | 41.6° | 40.8° |
CAF | CAE | CAA | HAAA | 162.9° | 159.2° |
CAE | CAF | CAG | HAG | 166.8° | 162.6° |
CAE | CAF | CAG | HAGA | 70.1° | 79.1° |
CAE | CAF | CAH | HAH | 20.6° | 65.0° |
CAE | CAF | CAH | HAHA | 104.4° | 55.1° |
CAA | CAB | CAC | HAB | 120.0° | 120.8° |
CAA | CAB | CAC | HABA | 119.1° | 120.7° |
CAA | CAB | CAC | CAD | 78.5° | 80.0° |
CAB | CAA | CAE | HAE | 41.6° | 39.7° |
CAB | CAA | CAE | HAEA | 162.7° | 160.3° |
CAB | CAA | HAA | HAAA | 118.8° | 118.6° |
CAA | CAB | HAB | HABA | 119.1° | 118.6° |
CAA | CAB | CAC | HAC | 41.5° | 39.7° |
CAA | CAB | CAC | HACA | 162.6° | 160.3° |
CAB | CAC | CAD | HAC | 120.0° | 119.7° |
CAB | CAC | CAD | HACA | 118.9° | 119.7° |
CAB | CAC | CAD | CAG | 87.8° | 94.2° |
CAC | CAB | CAA | HAA | 60.4° | 58.8° |
CAC | CAB | CAA | HAAA | 178.4° | 177.3° |
CAC | CAB | HAB | HABA | 119.1° | 118.6° |
CAB | CAC | HAC | HACA | 119.0° | 120.5° |
CAB | CAC | CAD | HAD | 152.2° | 145.0° |
CAB | CAC | CAD | HADA | 29.7° | 26.6° |
CAC | CAD | CAG | HAD | 120.0° | 120.8° |
CAC | CAD | CAG | HADA | 117.5° | 120.7° |
CAC | CAD | CAG | CAF | 30.8° | 41.7° |
CAD | CAC | CAB | HAB | 161.5° | 159.3° |
CAD | CAC | CAB | HABA | 40.6° | 40.7° |
CAD | CAC | HAC | HACA | 119.0° | 120.4° |
CAC | CAD | HAD | HADA | 117.7° | 118.5° |
CAC | CAD | CAG | HAG | 89.2° | 79.2° |
CAC | CAD | CAG | HAGA | 147.8° | 162.5° |
CAD | CAG | CAF | HAG | 120.0° | 120.8° |
CAD | CAG | CAF | HAGA | 116.9° | 120.9° |
CAD | CAG | CAF | CAH | 165.7° | 162.5° |
CAG | CAD | CAC | HAC | 32.2° | 25.6° |
CAG | CAD | CAC | HACA | 153.2° | 146.1° |
CAG | CAD | HAD | HADA | 117.7° | 118.5° |
CAD | CAG | HAG | HAGA | 117.2° | 118.4° |
CAD | CAG | CAF | HAF | 74.9° | 79.1° |
CAG | CAF | CAH | HAF | 117.2° | 118.6° |
CAG | CAF | CAH | CAI | 19.5° | 62.1° |
CAG | CAF | CAE | HAE | 25.7° | 25.5° |
CAG | CAF | CAE | HAEA | 146.7° | 146.1° |
CAF | CAG | CAD | HAD | 150.8° | 162.5° |
CAF | CAG | CAD | HADA | 86.6° | 79.1° |
CAF | CAG | HAG | HAGA | 117.3° | 118.3° |
CAG | CAF | CAH | HAH | 100.5° | 57.9° |
CAG | CAF | CAH | HAHA | 134.5° | 178.0° |
CAF | CAH | CAI | HAH | 120.0° | 120.0° |
CAF | CAH | CAI | HAHA | 115.0° | 119.9° |
CAF | CAH | CAI | CAJ | 108.4° | 95.1° |
CAF | CAH | CAI | SAP | 74.7° | 85.3° |
CAH | CAF | CAE | HAE | 97.4° | 95.2° |
CAH | CAF | CAE | HAEA | 23.6° | 25.4° |
CAH | CAF | CAG | HAG | 74.4° | 76.7° |
CAH | CAF | CAG | HAGA | 48.7° | 41.6° |
CAF | CAH | HAH | HAHA | 115.8° | 120.0° |
CAH | CAI | CAJ | SAP | 177.3° | 179.7° |
CAH | CAI | CAJ | CAK | 177.2° | 179.9° |
CAH | CAI | SAP | OAO | 59.3° | 68.1° |
CAH | CAI | SAP | OAW | 66.8° | 68.2° |
CAH | CAI | SAP | CAQ | 176.6° | 179.9° |
CAI | CAH | CAF | HAF | 97.7° | 56.5° |
CAI | CAH | HAH | HAHA | 115.8° | 120.0° |
CAH | CAI | CAJ | HAJ | 2.8° | 0.1° |
CAI | CAJ | CAK | HAJ | 180.0° | 180.0° |
CAJ | CAI | SAP | OAO | 118.2° | 111.6° |
CAJ | CAI | SAP | OAW | 115.6° | 112.1° |
CAJ | CAI | SAP | CAQ | 0.9° | 0.2° |
CAI | CAJ | CAK | CAQ | 1.0° | 0.2° |
CAI | CAJ | CAK | CAL | 178.7° | 180.0° |
CAJ | CAI | CAH | HAH | 11.6° | 24.9° |
CAJ | CAI | CAH | HAHA | 136.5° | 145.0° |
SAP | CAI | CAJ | CAK | 0.1° | 0.2° |
CAI | SAP | OAO | OAW | 125.9° | 127.2° |
CAI | SAP | OAO | CAQ | 106.2° | 105.5° |
CAI | SAP | OAW | CAQ | 107.2° | 105.6° |
CAI | SAP | CAQ | CAR | 179.4° | 179.9° |
CAI | SAP | CAQ | CAK | 1.4° | 0.1° |
SAP | CAI | CAH | HAH | 165.3° | 154.7° |
SAP | CAI | CAH | HAHA | 40.4° | 34.6° |
SAP | CAI | CAJ | HAJ | 179.9° | 179.8° |
CAJ | CAK | CAQ | SAP | 1.6° | 0.0° |
CAJ | CAK | CAQ | CAR | 179.1° | 180.0° |
CAJ | CAK | CAQ | CAL | 177.9° | 179.9° |
CAJ | CAK | CAL | CAM | 178.3° | 180.0° |
CAJ | CAK | CAL | HAL | 1.7° | 0.0° |
OAO | SAP | OAW | CAQ | 128.8° | 127.2° |
OAO | SAP | CAQ | CAR | 65.5° | 68.2° |
OAO | SAP | CAQ | CAK | 115.3° | 111.7° |
OAW | SAP | CAQ | CAR | 63.2° | 68.1° |
OAW | SAP | CAQ | CAK | 116.0° | 112.0° |
SAP | CAQ | CAR | CAK | 179.1° | 179.9° |
SAP | CAQ | CAR | CAS | 178.9° | 180.0° |
SAP | CAQ | CAK | CAL | 179.5° | 179.9° |
SAP | CAQ | CAR | HAR | 1.1° | 0.1° |
CAQ | CAR | CAS | HAR | 180.0° | 179.9° |
CAR | CAQ | CAK | CAL | 1.1° | 0.1° |
CAQ | CAR | CAS | CAM | 2.0° | 0.2° |
CAQ | CAR | CAS | OAT | 177.7° | 180.0° |
CAK | CAQ | CAR | CAS | 0.2° | 0.1° |
CAQ | CAK | CAL | CAM | 0.7° | 0.1° |
CAQ | CAK | CAJ | HAJ | 179.0° | 179.9° |
CAK | CAQ | CAR | HAR | 179.8° | 179.8° |
CAQ | CAK | CAL | HAL | 179.3° | 179.9° |
CAR | CAS | CAM | CAL | 2.5° | 0.2° |
CAR | CAS | CAM | OAT | 175.5° | 179.8° |
CAR | CAS | OAT | SAU | 128.8° | 89.9° |
CAR | CAS | CAM | HAM | 177.5° | 179.8° |
CAK | CAL | CAM | HAL | 180.0° | 179.9° |
CAK | CAL | CAM | CAS | 1.2° | 0.0° |
CAL | CAK | CAJ | HAJ | 1.3° | 0.0° |
CAK | CAL | CAM | HAM | 178.8° | 180.0° |
CAL | CAM | CAS | HAM | 180.0° | 180.0° |
CAL | CAM | CAS | OAT | 178.0° | 179.9° |
CAM | CAS | OAT | SAU | 55.7° | 90.3° |
CAM | CAS | CAR | HAR | 178.0° | 179.7° |
CAS | CAM | CAL | HAL | 178.8° | 180.0° |
CAS | OAT | SAU | OAA | 65.5° | 171.4° |
CAS | OAT | SAU | OAN | 58.2° | 38.5° |
CAS | OAT | SAU | NAV | 178.3° | 75.0° |
OAT | CAS | CAR | HAR | 2.3° | 0.1° |
OAT | CAS | CAM | HAM | 2.0° | 0.1° |
OAT | SAU | OAA | OAN | 124.4° | 123.0° |
OAT | SAU | OAA | NAV | 114.0° | 114.1° |
OAT | SAU | OAN | NAV | 115.9° | 114.1° |
OAT | SAU | NAV | HNAV | 29.2° | 150.0° |
OAT | SAU | NAV | HNAA | 90.8° | 30.0° |
OAA | SAU | OAN | NAV | 119.4° | 122.9° |
OAA | SAU | NAV | HNAV | 148.2° | 36.4° |
OAA | SAU | NAV | HNAA | 28.2° | 143.6° |
OAN | SAU | NAV | HNAV | 91.0° | 96.5° |
OAN | SAU | NAV | HNAA | 149.0° | 83.6° |
SAU | NAV | HNAV | HNAA | 120.0° | 180.0° |
HAE | CAE | CAA | HAA | 161.6° | 160.5° |
HAE | CAE | CAA | HAAA | 77.1° | 81.1° |
HAE | CAE | CAF | HAF | 143.0° | 146.4° |
HAEA | CAE | CAA | HAA | 77.3° | 79.0° |
HAEA | CAE | CAA | HAAA | 43.9° | 39.5° |
HAEA | CAE | CAF | HAF | 96.0° | 93.1° |
HAA | CAA | CAB | HAB | 59.6° | 61.9° |
HAA | CAA | CAB | HABA | 179.4° | 179.6° |
HAAA | CAA | CAB | HAB | 61.6° | 56.6° |
HAAA | CAA | CAB | HABA | 59.3° | 61.9° |
HAB | CAB | CAC | HAC | 78.5° | 81.0° |
HAB | CAB | CAC | HACA | 42.6° | 39.6° |
HABA | CAB | CAC | HAC | 160.6° | 160.5° |
HABA | CAB | CAC | HACA | 78.3° | 79.0° |
HAC | CAC | CAD | HAD | 87.8° | 95.3° |
HAC | CAC | CAD | HADA | 149.6° | 146.3° |
HACA | CAC | CAD | HAD | 33.2° | 25.3° |
HACA | CAC | CAD | HADA | 89.3° | 93.1° |
HAD | CAD | CAG | HAG | 30.8° | 41.6° |
HAD | CAD | CAG | HAGA | 92.2° | 76.7° |
HADA | CAD | CAG | HAG | 153.4° | 160.1° |
HADA | CAD | CAG | HAGA | 30.3° | 41.8° |
HAG | CAG | CAF | HAF | 45.1° | 41.8° |
HAGA | CAG | CAF | HAF | 168.2° | 160.1° |
HAF | CAF | CAH | HAH | 142.3° | 176.5° |
HAF | CAF | CAH | HAHA | 17.3° | 63.4° |
HAL | CAL | CAM | HAM | 1.2° | 0.1° |