Molecule SMILES: CC(=O)NC(=O)N(C)C
Rotational constants A, B, C (GHz): 3.27088, 0.97324, 0.78456
Dipole moment mu (Debye): 6.3699
Isotropic polarizability alpha (Bohr^3): 76.32
HOMO energy (Hartree): -0.2396
LUMO energy (Hartree): 0.0013
HOMO-LUMO gap (Hartree): 0.2409
Electronic spatial extent r2 (Bohr^2): 1480.4053
Zero-point vibrational energy (Hartree): 0.156543
Internal energy at 0 K (Hartree): -456.406083
Internal energy at 298.15 K (Hartree): -456.39509
Enthalpy at 298.15 K (Hartree): -456.394146
Free energy at 298.15 K (Hartree): -456.443842
Heat capacity at 298.15 K (cal/mol K): 36.738
Atomization energy at 0 K (kcal/mol): -1802.590511017
Atomization energy at 298.15 K (kcal/mol): -1812.577944261
Atomization enthalpy at 298.15 K (kcal/mol): -1823.246852279
Atomization free energy at 298.15 K (kcal/mol): -1676.157487661