Molecule SMILES: CC(C)N1CC1C
Rotational constants A, B, C (GHz): 3.96968, 2.01068, 1.55766
Dipole moment mu (Debye): 1.1577
Isotropic polarizability alpha (Bohr^3): 71.81
HOMO energy (Hartree): -0.2199
LUMO energy (Hartree): 0.0852
HOMO-LUMO gap (Hartree): 0.3051
Electronic spatial extent r2 (Bohr^2): 884.836
Zero-point vibrational energy (Hartree): 0.181779
Internal energy at 0 K (Hartree): -291.021228
Internal energy at 298.15 K (Hartree): -291.012742
Enthalpy at 298.15 K (Hartree): -291.011798
Free energy at 298.15 K (Hartree): -291.053457
Heat capacity at 298.15 K (cal/mol K): 31.53
Atomization energy at 0 K (kcal/mol): -1790.399893674
Atomization energy at 298.15 K (kcal/mol): -1802.849672234
Atomization enthalpy at 298.15 K (kcal/mol): -1814.112831275
Atomization free energy at 298.15 K (kcal/mol): -1659.514693963