Molecule SMILES: O=C(C1CN1)C1COC1
Rotational constants A, B, C (GHz): 4.42048, 0.92245, 0.86661
Dipole moment mu (Debye): 2.8829
Isotropic polarizability alpha (Bohr^3): 73.65
HOMO energy (Hartree): -0.2553
LUMO energy (Hartree): -0.0348
HOMO-LUMO gap (Hartree): 0.2206
Electronic spatial extent r2 (Bohr^2): 1359.2244
Zero-point vibrational energy (Hartree): 0.148027
Internal energy at 0 K (Hartree): -439.04632
Internal energy at 298.15 K (Hartree): -439.037702
Enthalpy at 298.15 K (Hartree): -439.036758
Free energy at 298.15 K (Hartree): -439.081445
Heat capacity at 298.15 K (cal/mol K): 30.264
Atomization energy at 0 K (kcal/mol): -1725.782781908
Atomization energy at 298.15 K (kcal/mol): -1736.3726237921
Atomization enthalpy at 298.15 K (kcal/mol): -1746.448535805
Atomization free energy at 298.15 K (kcal/mol): -1604.690487651