Molecule SMILES: CCN1CCC(=O)C1
Rotational constants A, B, C (GHz): 3.74232, 1.42833, 1.184
Dipole moment mu (Debye): 2.4552
Isotropic polarizability alpha (Bohr^3): 71.49
HOMO energy (Hartree): -0.2103
LUMO energy (Hartree): -0.017
HOMO-LUMO gap (Hartree): 0.1933
Electronic spatial extent r2 (Bohr^2): 1067.1146
Zero-point vibrational energy (Hartree): 0.16556
Internal energy at 0 K (Hartree): -365.079339
Internal energy at 298.15 K (Hartree): -365.071177
Enthalpy at 298.15 K (Hartree): -365.070233
Free energy at 298.15 K (Hartree): -365.112375
Heat capacity at 298.15 K (cal/mol K): 30.327
Atomization energy at 0 K (kcal/mol): -1786.683785376
Atomization energy at 298.15 K (kcal/mol): -1798.448324108
Atomization enthalpy at 298.15 K (kcal/mol): -1809.117859635
Atomization free energy at 298.15 K (kcal/mol): -1660.292805123