Molecule SMILES: CC1(CN1C2(CC2)C)C
Rotational constants A, B, C (GHz): 2.61106, 1.20204, 1.13092
Dipole moment mu (Debye): 1.1346
Isotropic polarizability alpha (Bohr^3): 90.21
HOMO energy (Hartree): -0.2088
LUMO energy (Hartree): 0.0828
HOMO-LUMO gap (Hartree): 0.2916
Electronic spatial extent r2 (Bohr^2): 1286.0815
Zero-point vibrational energy (Hartree): 0.214918
Internal energy at 0 K (Hartree): -368.376481
Internal energy at 298.15 K (Hartree): -368.366247
Enthalpy at 298.15 K (Hartree): -368.365303
Free energy at 298.15 K (Hartree): -368.411124
Heat capacity at 298.15 K (cal/mol K): 39.644
Atomization energy at 0 K (kcal/mol): -2205.285626641
Atomization energy at 298.15 K (kcal/mol): -2220.193985463
Atomization enthalpy at 298.15 K (kcal/mol): -2233.827873506
Atomization free energy at 298.15 K (kcal/mol): -2044.290035074