Molecule SMILES: CC(C1CC1[NH3+])C([O-])=O
Rotational constants A, B, C (GHz): 2.35148, 1.35983, 1.06794
Dipole moment mu (Debye): 6.3139
Isotropic polarizability alpha (Bohr^3): 74.97
HOMO energy (Hartree): -0.2404
LUMO energy (Hartree): 0.0356
HOMO-LUMO gap (Hartree): 0.276
Electronic spatial extent r2 (Bohr^2): 1205.2977
Zero-point vibrational energy (Hartree): 0.171608
Internal energy at 0 K (Hartree): -440.309191
Internal energy at 298.15 K (Hartree): -440.300119
Enthalpy at 298.15 K (Hartree): -440.299175
Free energy at 298.15 K (Hartree): -440.342905
Heat capacity at 298.15 K (cal/mol K): 34.595
Atomization energy at 0 K (kcal/mol): -1890.3940803331
Atomization energy at 298.15 K (kcal/mol): -1902.4761386191
Atomization enthalpy at 298.15 K (kcal/mol): -1913.738042642
Atomization free energy at 298.15 K (kcal/mol): -1755.045409105