Molecule SMILES: O=CC1OCC1N1CC1
Rotational constants A, B, C (GHz): 2.19971, 1.6036, 1.01106
Dipole moment mu (Debye): 3.1651
Isotropic polarizability alpha (Bohr^3): 72.62
HOMO energy (Hartree): -0.2426
LUMO energy (Hartree): -0.0286
HOMO-LUMO gap (Hartree): 0.214
Electronic spatial extent r2 (Bohr^2): 1166.0704
Zero-point vibrational energy (Hartree): 0.146069
Internal energy at 0 K (Hartree): -439.029403
Internal energy at 298.15 K (Hartree): -439.020711
Enthalpy at 298.15 K (Hartree): -439.019767
Free energy at 298.15 K (Hartree): -439.063882
Heat capacity at 298.15 K (cal/mol K): 30.947
Atomization energy at 0 K (kcal/mol): -1715.1672121551
Atomization energy at 298.15 K (kcal/mol): -1725.710618373
Atomization enthalpy at 298.15 K (kcal/mol): -1735.786530386
Atomization free energy at 298.15 K (kcal/mol): -1593.669547084