Molecule SMILES: C(C(=O)OCC(=O)N)N
Rotational constants A, B, C (GHz): 2.98149, 1.07424, 0.94626
Dipole moment mu (Debye): 4.1487
Isotropic polarizability alpha (Bohr^3): 65.98
HOMO energy (Hartree): -0.234
LUMO energy (Hartree): 0.0088
HOMO-LUMO gap (Hartree): 0.2428
Electronic spatial extent r2 (Bohr^2): 1282.02
Zero-point vibrational energy (Hartree): 0.13525
Internal energy at 0 K (Hartree): -492.334814
Internal energy at 298.15 K (Hartree): -492.32481
Enthalpy at 298.15 K (Hartree): -492.323866
Free energy at 298.15 K (Hartree): -492.371384
Heat capacity at 298.15 K (cal/mol K): 34.567
Atomization energy at 0 K (kcal/mol): -1621.5353392471
Atomization energy at 298.15 K (kcal/mol): -1630.365645895
Atomization enthalpy at 298.15 K (kcal/mol): -1639.848561903
Atomization free energy at 298.15 K (kcal/mol): -1507.47114579