Molecule SMILES: CC(=O)N(C)C(=O)C=O
Rotational constants A, B, C (GHz): 2.76912, 1.25494, 0.93105
Dipole moment mu (Debye): 4.2689
Isotropic polarizability alpha (Bohr^3): 68.28
HOMO energy (Hartree): -0.2477
LUMO energy (Hartree): -0.0909
HOMO-LUMO gap (Hartree): 0.1568
Electronic spatial extent r2 (Bohr^2): 1229.6275
Zero-point vibrational energy (Hartree): 0.120694
Internal energy at 0 K (Hartree): -475.065371
Internal energy at 298.15 K (Hartree): -475.055558
Enthalpy at 298.15 K (Hartree): -475.054614
Free energy at 298.15 K (Hartree): -475.101078
Heat capacity at 298.15 K (cal/mol K): 33.391
Atomization energy at 0 K (kcal/mol): -1601.4042230181
Atomization energy at 298.15 K (kcal/mol): -1609.46645865
Atomization enthalpy at 298.15 K (kcal/mol): -1618.356378653
Atomization free energy at 298.15 K (kcal/mol): -1493.792077099