Molecule SMILES: C[NH2+]CC(N)C([O-])=O
Rotational constants A, B, C (GHz): 2.61123, 0.5128, 0.45646
Dipole moment mu (Debye): 2.3418
Isotropic polarizability alpha (Bohr^3): 66.76
HOMO energy (Hartree): -0.2102
LUMO energy (Hartree): 0.0318
HOMO-LUMO gap (Hartree): 0.242
Electronic spatial extent r2 (Bohr^2): 2369.8146
Zero-point vibrational energy (Hartree): 0.146733
Internal energy at 0 K (Hartree): -418.285103
Internal energy at 298.15 K (Hartree): -418.271591
Enthalpy at 298.15 K (Hartree): -418.270647
Free energy at 298.15 K (Hartree): -418.331811
Heat capacity at 298.15 K (cal/mol K): 39.517
Atomization energy at 0 K (kcal/mol): -1630.522523145
Atomization energy at 298.15 K (kcal/mol): -1638.0400809651
Atomization enthalpy at 298.15 K (kcal/mol): -1648.116620487
Atomization free energy at 298.15 K (kcal/mol): -1518.8321962351