Molecule SMILES: O=C1COC1CN1CC1
Rotational constants A, B, C (GHz): 3.95128, 0.95249, 0.81749
Dipole moment mu (Debye): 1.5732
Isotropic polarizability alpha (Bohr^3): 73.82
HOMO energy (Hartree): -0.2412
LUMO energy (Hartree): -0.0348
HOMO-LUMO gap (Hartree): 0.2064
Electronic spatial extent r2 (Bohr^2): 1388.4034
Zero-point vibrational energy (Hartree): 0.146088
Internal energy at 0 K (Hartree): -439.039588
Internal energy at 298.15 K (Hartree): -439.030957
Enthalpy at 298.15 K (Hartree): -439.030012
Free energy at 298.15 K (Hartree): -439.074041
Heat capacity at 298.15 K (cal/mol K): 31.097
Atomization energy at 0 K (kcal/mol): -1721.5583913201
Atomization energy at 298.15 K (kcal/mol): -1732.140075587
Atomization enthalpy at 298.15 K (kcal/mol): -1742.215360091
Atomization free energy at 298.15 K (kcal/mol): -1600.044411015