Molecule SMILES: CN1CCC(=O)C1
Rotational constants A, B, C (GHz): 4.7878, 2.22821, 1.84311
Dipole moment mu (Debye): 2.3608
Isotropic polarizability alpha (Bohr^3): 60.05
HOMO energy (Hartree): -0.211
LUMO energy (Hartree): -0.0175
HOMO-LUMO gap (Hartree): 0.1935
Electronic spatial extent r2 (Bohr^2): 728.8912
Zero-point vibrational energy (Hartree): 0.137146
Internal energy at 0 K (Hartree): -325.78932
Internal energy at 298.15 K (Hartree): -325.782467
Enthalpy at 298.15 K (Hartree): -325.781523
Free energy at 298.15 K (Hartree): -325.820263
Heat capacity at 298.15 K (cal/mol K): 25.377
Atomization energy at 0 K (kcal/mol): -1508.884923567
Atomization energy at 298.15 K (kcal/mol): -1518.804585839
Atomization enthalpy at 298.15 K (kcal/mol): -1527.69576086
Atomization free energy at 298.15 K (kcal/mol): -1403.678647154