Molecule SMILES: CC[NH2+]C(C)C([O-])=O
Rotational constants A, B, C (GHz): 3.20207, 1.24758, 1.04235
Dipole moment mu (Debye): 5.1717
Isotropic polarizability alpha (Bohr^3): 68.28
HOMO energy (Hartree): -0.2454
LUMO energy (Hartree): 0.0228
HOMO-LUMO gap (Hartree): 0.2681
Electronic spatial extent r2 (Bohr^2): 1198.2434
Zero-point vibrational energy (Hartree): 0.164747
Internal energy at 0 K (Hartree): -402.237971
Internal energy at 298.15 K (Hartree): -402.228696
Enthalpy at 298.15 K (Hartree): -402.227752
Free energy at 298.15 K (Hartree): -402.27253
Heat capacity at 298.15 K (cal/mol K): 32.881
Atomization energy at 0 K (kcal/mol): -1749.5509403011
Atomization energy at 298.15 K (kcal/mol): -1760.6164340071
Atomization enthalpy at 298.15 K (kcal/mol): -1771.285969534
Atomization free energy at 298.15 K (kcal/mol): -1623.8596325831