Molecule SMILES: O=CC1CN1C1COC1
Rotational constants A, B, C (GHz): 3.33839, 0.99971, 0.82665
Dipole moment mu (Debye): 2.8147
Isotropic polarizability alpha (Bohr^3): 74.72
HOMO energy (Hartree): -0.2491
LUMO energy (Hartree): -0.0384
HOMO-LUMO gap (Hartree): 0.2107
Electronic spatial extent r2 (Bohr^2): 1360.7151
Zero-point vibrational energy (Hartree): 0.146347
Internal energy at 0 K (Hartree): -439.027239
Internal energy at 298.15 K (Hartree): -439.01856
Enthalpy at 298.15 K (Hartree): -439.017615
Free energy at 298.15 K (Hartree): -439.062034
Heat capacity at 298.15 K (cal/mol K): 30.799
Atomization energy at 0 K (kcal/mol): -1713.8092826791
Atomization energy at 298.15 K (kcal/mol): -1724.360846514
Atomization enthalpy at 298.15 K (kcal/mol): -1734.436131018
Atomization free energy at 298.15 K (kcal/mol): -1592.509910452