Molecule SMILES: CC(=O)N(C)C(=O)OC
Rotational constants A, B, C (GHz): 3.29795, 1.11473, 0.85894
Dipole moment mu (Debye): 4.8543
Isotropic polarizability alpha (Bohr^3): 71.15
HOMO energy (Hartree): -0.2446
LUMO energy (Hartree): -0.0048
HOMO-LUMO gap (Hartree): 0.2398
Electronic spatial extent r2 (Bohr^2): 1346.3298
Zero-point vibrational energy (Hartree): 0.144854
Internal energy at 0 K (Hartree): -476.281084
Internal energy at 298.15 K (Hartree): -476.270666
Enthalpy at 298.15 K (Hartree): -476.269722
Free energy at 298.15 K (Hartree): -476.317853
Heat capacity at 298.15 K (cal/mol K): 35.156
Atomization energy at 0 K (kcal/mol): -1736.4234520211
Atomization energy at 298.15 K (kcal/mol): -1745.883150196
Atomization enthalpy at 298.15 K (kcal/mol): -1755.959062209
Atomization free energy at 298.15 K (kcal/mol): -1616.1067588881