Molecule SMILES: CC(=O)N(C)C(=O)CO
Rotational constants A, B, C (GHz): 3.28233, 1.05031, 0.81505
Dipole moment mu (Debye): 5.7937
Isotropic polarizability alpha (Bohr^3): 70.93
HOMO energy (Hartree): -0.2503
LUMO energy (Hartree): -0.0291
HOMO-LUMO gap (Hartree): 0.2212
Electronic spatial extent r2 (Bohr^2): 1380.7935
Zero-point vibrational energy (Hartree): 0.144817
Internal energy at 0 K (Hartree): -476.263467
Internal energy at 298.15 K (Hartree): -476.253432
Enthalpy at 298.15 K (Hartree): -476.252488
Free energy at 298.15 K (Hartree): -476.299326
Heat capacity at 298.15 K (cal/mol K): 35.275
Atomization energy at 0 K (kcal/mol): -1725.368625968
Atomization energy at 298.15 K (kcal/mol): -1735.06866009
Atomization enthalpy at 298.15 K (kcal/mol): -1745.1445721031
Atomization free energy at 298.15 K (kcal/mol): -1604.480899645