Molecule SMILES: OC1CCNCC(=O)C1
Rotational constants A, B, C (GHz): 2.09259, 1.53466, 0.97732
Dipole moment mu (Debye): 2.0132
Isotropic polarizability alpha (Bohr^3): 75.46
HOMO energy (Hartree): -0.2286
LUMO energy (Hartree): -0.0169
HOMO-LUMO gap (Hartree): 0.2117
Electronic spatial extent r2 (Bohr^2): 1220.4187
Zero-point vibrational energy (Hartree): 0.172285
Internal energy at 0 K (Hartree): -440.299515
Internal energy at 298.15 K (Hartree): -440.290825
Enthalpy at 298.15 K (Hartree): -440.289881
Free energy at 298.15 K (Hartree): -440.333016
Heat capacity at 298.15 K (cal/mol K): 33.478
Atomization energy at 0 K (kcal/mol): -1884.322303249
Atomization energy at 298.15 K (kcal/mol): -1896.6440699731
Atomization enthalpy at 298.15 K (kcal/mol): -1907.905973996
Atomization free energy at 298.15 K (kcal/mol): -1748.839972604