Molecule SMILES: NCC1CC([NH2+]1)C([O-])=O
Rotational constants A, B, C (GHz): 4.31228, 0.84405, 0.78061
Dipole moment mu (Debye): 6.5706
Isotropic polarizability alpha (Bohr^3): 72.23
HOMO energy (Hartree): -0.2418
LUMO energy (Hartree): 0.0208
HOMO-LUMO gap (Hartree): 0.2626
Electronic spatial extent r2 (Bohr^2): 1472.9297
Zero-point vibrational energy (Hartree): 0.161041
Internal energy at 0 K (Hartree): -456.35385
Internal energy at 298.15 K (Hartree): -456.344919
Enthalpy at 298.15 K (Hartree): -456.343975
Free energy at 298.15 K (Hartree): -456.388268
Heat capacity at 298.15 K (cal/mol K): 32.743
Atomization energy at 0 K (kcal/mol): -1769.8138334201
Atomization energy at 298.15 K (kcal/mol): -1781.0951902221
Atomization enthalpy at 298.15 K (kcal/mol): -1791.76409824
Atomization free energy at 298.15 K (kcal/mol): -1641.284302495