Molecule SMILES: CC(=[NH2+])NCCC([O-])=O
Rotational constants A, B, C (GHz): 3.7505, 0.88546, 0.75886
Dipole moment mu (Debye): 8.4204
Isotropic polarizability alpha (Bohr^3): 73.94
HOMO energy (Hartree): -0.2323
LUMO energy (Hartree): 0.01
HOMO-LUMO gap (Hartree): 0.2422
Electronic spatial extent r2 (Bohr^2): 1488.5398
Zero-point vibrational energy (Hartree): 0.158595
Internal energy at 0 K (Hartree): -456.402098
Internal energy at 298.15 K (Hartree): -456.392094
Enthalpy at 298.15 K (Hartree): -456.39115
Free energy at 298.15 K (Hartree): -456.438209
Heat capacity at 298.15 K (cal/mol K): 35.101
Atomization energy at 0 K (kcal/mol): -1800.0898876521
Atomization energy at 298.15 K (kcal/mol): -1810.6979272971
Atomization enthalpy at 298.15 K (kcal/mol): -1821.366835315
Atomization free energy at 298.15 K (kcal/mol): -1672.622729464