Molecule SMILES: CCN1CC(=O)C1C
Rotational constants A, B, C (GHz): 3.58448, 1.39487, 1.08007
Dipole moment mu (Debye): 2.6193
Isotropic polarizability alpha (Bohr^3): 73.49
HOMO energy (Hartree): -0.2287
LUMO energy (Hartree): -0.0209
HOMO-LUMO gap (Hartree): 0.2079
Electronic spatial extent r2 (Bohr^2): 1131.0145
Zero-point vibrational energy (Hartree): 0.163325
Internal energy at 0 K (Hartree): -365.06255
Internal energy at 298.15 K (Hartree): -365.053676
Enthalpy at 298.15 K (Hartree): -365.052732
Free energy at 298.15 K (Hartree): -365.096085
Heat capacity at 298.15 K (cal/mol K): 32.033
Atomization energy at 0 K (kcal/mol): -1776.148536775
Atomization energy at 298.15 K (kcal/mol): -1787.466289099
Atomization enthalpy at 298.15 K (kcal/mol): -1798.135824626
Atomization free energy at 298.15 K (kcal/mol): -1650.070683513