Molecule SMILES: CN(C)C(C=O)C=O
Rotational constants A, B, C (GHz): 2.7149, 1.62774, 1.28947
Dipole moment mu (Debye): 2.0978
Isotropic polarizability alpha (Bohr^3): 65.73
HOMO energy (Hartree): -0.2167
LUMO energy (Hartree): -0.0429
HOMO-LUMO gap (Hartree): 0.1738
Electronic spatial extent r2 (Bohr^2): 1005.2112
Zero-point vibrational energy (Hartree): 0.138148
Internal energy at 0 K (Hartree): -400.991541
Internal energy at 298.15 K (Hartree): -400.982245
Enthalpy at 298.15 K (Hartree): -400.981301
Free energy at 298.15 K (Hartree): -401.02561
Heat capacity at 298.15 K (cal/mol K): 31.97
Atomization energy at 0 K (kcal/mol): -1595.256517345
Atomization energy at 298.15 K (kcal/mol): -1604.531727874
Atomization enthalpy at 298.15 K (kcal/mol): -1614.015271391
Atomization free energy at 298.15 K (kcal/mol): -1482.628691989