Molecule SMILES: CN(C)CC(=O)COC
Rotational constants A, B, C (GHz): 3.32332, 0.78427, 0.75153
Dipole moment mu (Debye): 2.9735
Isotropic polarizability alpha (Bohr^3): 80.43
HOMO energy (Hartree): -0.2214
LUMO energy (Hartree): -0.0176
HOMO-LUMO gap (Hartree): 0.2038
Electronic spatial extent r2 (Bohr^2): 1662.5182
Zero-point vibrational energy (Hartree): 0.190616
Internal energy at 0 K (Hartree): -441.467032
Internal energy at 298.15 K (Hartree): -441.455944
Enthalpy at 298.15 K (Hartree): -441.455
Free energy at 298.15 K (Hartree): -441.504297
Heat capacity at 298.15 K (cal/mol K): 38.585
Atomization energy at 0 K (kcal/mol): -1989.0981084881
Atomization energy at 298.15 K (kcal/mol): -2001.692214118
Atomization enthalpy at 298.15 K (kcal/mol): -2014.140110151
Atomization free energy at 298.15 K (kcal/mol): -1842.606759947