Molecule SMILES: C[NH2+]C(C)C(O)C([O-])=O
Rotational constants A, B, C (GHz): 2.40913, 1.1867, 0.92785
Dipole moment mu (Debye): 4.9471
Isotropic polarizability alpha (Bohr^3): 72.04
HOMO energy (Hartree): -0.247
LUMO energy (Hartree): 0.016
HOMO-LUMO gap (Hartree): 0.263
Electronic spatial extent r2 (Bohr^2): 1322.2288
Zero-point vibrational energy (Hartree): 0.169758
Internal energy at 0 K (Hartree): -477.450762
Internal energy at 298.15 K (Hartree): -477.440613
Enthalpy at 298.15 K (Hartree): -477.439669
Free energy at 298.15 K (Hartree): -477.48622
Heat capacity at 298.15 K (cal/mol K): 36.507
Atomization energy at 0 K (kcal/mol): -1842.5553042091
Atomization energy at 298.15 K (kcal/mol): -1853.960907793
Atomization enthalpy at 298.15 K (kcal/mol): -1865.2228118161
Atomization free energy at 298.15 K (kcal/mol): -1708.044985005