Molecule SMILES: CC(C=O)(C=O)N(C)C
Rotational constants A, B, C (GHz): 2.04845, 1.3602, 1.27742
Dipole moment mu (Debye): 2.2554
Isotropic polarizability alpha (Bohr^3): 76.21
HOMO energy (Hartree): -0.2144
LUMO energy (Hartree): -0.0423
HOMO-LUMO gap (Hartree): 0.1721
Electronic spatial extent r2 (Bohr^2): 1163.049
Zero-point vibrational energy (Hartree): 0.16615
Internal energy at 0 K (Hartree): -440.279543
Internal energy at 298.15 K (Hartree): -440.268853
Enthalpy at 298.15 K (Hartree): -440.267909
Free energy at 298.15 K (Hartree): -440.315036
Heat capacity at 298.15 K (cal/mol K): 37.918
Atomization energy at 0 K (kcal/mol): -1871.789693501
Atomization energy at 298.15 K (kcal/mol): -1882.856442225
Atomization enthalpy at 298.15 K (kcal/mol): -1894.118346248
Atomization free energy at 298.15 K (kcal/mol): -1737.5573607841