Molecule SMILES: O=CC1OC1CN1CC1
Rotational constants A, B, C (GHz): 4.14038, 0.80277, 0.74662
Dipole moment mu (Debye): 2.2455
Isotropic polarizability alpha (Bohr^3): 74.79
HOMO energy (Hartree): -0.2471
LUMO energy (Hartree): -0.0427
HOMO-LUMO gap (Hartree): 0.2044
Electronic spatial extent r2 (Bohr^2): 1521.9838
Zero-point vibrational energy (Hartree): 0.145609
Internal energy at 0 K (Hartree): -439.029535
Internal energy at 298.15 K (Hartree): -439.020649
Enthalpy at 298.15 K (Hartree): -439.019705
Free energy at 298.15 K (Hartree): -439.064346
Heat capacity at 298.15 K (cal/mol K): 31.766
Atomization energy at 0 K (kcal/mol): -1715.2500433431
Atomization energy at 298.15 K (kcal/mol): -1725.671712815
Atomization enthalpy at 298.15 K (kcal/mol): -1735.747624828
Atomization free energy at 298.15 K (kcal/mol): -1593.9607112601