Molecule SMILES: CC([NH3+])(C(N)=O)C([O-])=O
Rotational constants A, B, C (GHz): 1.8147, 1.13254, 1.01642
Dipole moment mu (Debye): 6.0923
Isotropic polarizability alpha (Bohr^3): 71.3
HOMO energy (Hartree): -0.1668
LUMO energy (Hartree): 0.0306
HOMO-LUMO gap (Hartree): 0.1974
Electronic spatial extent r2 (Bohr^2): 1302.6333
Zero-point vibrational energy (Hartree): 0.131737
Internal energy at 0 K (Hartree): -492.305632
Internal energy at 298.15 K (Hartree): -492.294368
Enthalpy at 298.15 K (Hartree): -492.293424
Free energy at 298.15 K (Hartree): -492.344749
Heat capacity at 298.15 K (cal/mol K): 36.855
Atomization energy at 0 K (kcal/mol): -1603.2233716091
Atomization energy at 298.15 K (kcal/mol): -1611.2630169171
Atomization enthalpy at 298.15 K (kcal/mol): -1620.7459329251
Atomization free energy at 298.15 K (kcal/mol): -1490.757443575