Molecule SMILES: C[NH+](CCN)CC([O-])=O
Rotational constants A, B, C (GHz): 3.75398, 0.6856, 0.67451
Dipole moment mu (Debye): 5.8356
Isotropic polarizability alpha (Bohr^3): 76.27
HOMO energy (Hartree): -0.2424
LUMO energy (Hartree): 0.0205
HOMO-LUMO gap (Hartree): 0.2629
Electronic spatial extent r2 (Bohr^2): 1742.3889
Zero-point vibrational energy (Hartree): 0.182026
Internal energy at 0 K (Hartree): -457.555317
Internal energy at 298.15 K (Hartree): -457.544798
Enthalpy at 298.15 K (Hartree): -457.543853
Free energy at 298.15 K (Hartree): -457.59211
Heat capacity at 298.15 K (cal/mol K): 37.075
Atomization energy at 0 K (kcal/mol): -1895.893569209
Atomization energy at 298.15 K (kcal/mol): -1907.9555472071
Atomization enthalpy at 298.15 K (kcal/mol): -1919.8098197261
Atomization free energy at 298.15 K (kcal/mol): -1755.483410387