1-azabicyclo[2.2.1]heptane
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 431.70 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 441.61 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 70.60 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 103.86 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.81 | J mol-1 K-1 |
| Rotational | 111.32 | J mol-1 K-1 |
| Vibrational | 31.23 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 308.36 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 10.74 | kJ mol-1 |
Molecular Orbitals
- 1 -416.66 eV View
- 2 -301.02 eV View
- 3 -301.02 eV View
- 4 -300.95 eV View
- 5 -300.63 eV View
- 6 -300.41 eV View
- 7 -300.41 eV View
- 8 -32.48 eV View
- 9 -26.95 eV View
- 10 -26.40 eV View
- 11 -24.89 eV View
- 12 -21.56 eV View
- 13 -20.31 eV View
- 14 -19.20 eV View
- 15 -17.07 eV View
- 16 -16.77 eV View
- 17 -16.48 eV View
- 18 -14.19 eV View
- 19 -14.10 eV View
- 20 -13.06 eV View
- 21 -12.78 eV View
- 22 -12.08 eV View
- 23 -11.92 eV View
- 24 -11.89 eV View
- 25 -11.05 eV View
- 26 -10.64 eV View
- 27 -7.96 eV View
- 28 14.00 eV View
- 29 14.76 eV View
- 30 14.81 eV View
- 31 16.46 eV View
- 32 17.45 eV View
- 33 17.79 eV View
- 34 17.88 eV View
- 35 18.09 eV View
- 36 18.92 eV View
- 37 19.03 eV View
- 38 19.22 eV View
- 39 19.98 eV View
- 40 20.21 eV View
- 41 20.26 eV View
- 42 21.02 eV View
- 43 21.36 eV View
- 44 21.89 eV View
- 45 22.90 eV View
- 46 22.99 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 214.11 cm-1 View
- 2 382.95 cm-1 View
- 3 452.02 cm-1 View
- 4 503.85 cm-1 View
- 5 591.28 cm-1 View
- 6 746.45 cm-1 View
- 7 784.43 cm-1 View
- 8 822.49 cm-1 View
- 9 841.86 cm-1 View
- 10 895.48 cm-1 View
- 11 945.37 cm-1 View
- 12 948.57 cm-1 View
- 13 966.24 cm-1 View
- 14 969.14 cm-1 View
- 15 973.53 cm-1 View
- 16 1012.14 cm-1 View
- 17 1018.69 cm-1 View
- 18 1023.42 cm-1 View
- 19 1075.81 cm-1 View
- 20 1084.59 cm-1 View
- 21 1096.13 cm-1 View
- 22 1098.80 cm-1 View
- 23 1109.25 cm-1 View
- 24 1125.80 cm-1 View
- 25 1134.39 cm-1 View
- 26 1231.94 cm-1 View
- 27 1241.40 cm-1 View
- 28 1246.47 cm-1 View
- 29 1269.48 cm-1 View
- 30 1297.62 cm-1 View
- 31 1305.34 cm-1 View
- 32 1314.79 cm-1 View
- 33 1394.60 cm-1 View
- 34 1403.63 cm-1 View
- 35 1417.45 cm-1 View
- 36 1419.21 cm-1 View
- 37 1432.47 cm-1 View
- 38 2974.91 cm-1 View
- 39 2976.14 cm-1 View
- 40 2998.97 cm-1 View
- 41 3004.00 cm-1 View
- 42 3004.13 cm-1 View
- 43 3030.01 cm-1 View
- 44 3042.12 cm-1 View
- 45 3043.64 cm-1 View
- 46 3055.13 cm-1 View
- 47 3077.53 cm-1 View
- 48 3078.97 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 5.39 | kJ mol-1 |
| Polar Solvation Energy | -9.58 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.96 | kJ mol-1 |
| Surface Area | 95.75 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.92 | Debye |