Molecule SMILES: C(C(=O)OCC(=O)N)O
Rotational constants A, B, C (GHz): 4.02064, 0.83309, 0.82486
Dipole moment mu (Debye): 2.6592
Isotropic polarizability alpha (Bohr^3): 62.35
HOMO energy (Hartree): -0.2565
LUMO energy (Hartree): 0.0153
HOMO-LUMO gap (Hartree): 0.2719
Electronic spatial extent r2 (Bohr^2): 1427.3733
Zero-point vibrational energy (Hartree): 0.121584
Internal energy at 0 K (Hartree): -512.207695
Internal energy at 298.15 K (Hartree): -512.197595
Enthalpy at 298.15 K (Hartree): -512.196651
Free energy at 298.15 K (Hartree): -512.244565
Heat capacity at 298.15 K (cal/mol K): 34.236
Atomization energy at 0 K (kcal/mol): -1554.037961171
Atomization energy at 298.15 K (kcal/mol): -1561.919474211
Atomization enthalpy at 298.15 K (kcal/mol): -1570.809394214
Atomization free energy at 298.15 K (kcal/mol): -1446.899584547