Molecule SMILES: CC(=[NH2+])NCC([O-])=O
Rotational constants A, B, C (GHz): 5.04672, 1.03159, 0.86594
Dipole moment mu (Debye): 7.5854
Isotropic polarizability alpha (Bohr^3): 64.74
HOMO energy (Hartree): -0.2455
LUMO energy (Hartree): 0.0078
HOMO-LUMO gap (Hartree): 0.2533
Electronic spatial extent r2 (Bohr^2): 1267.4784
Zero-point vibrational energy (Hartree): 0.129228
Internal energy at 0 K (Hartree): -417.111817
Internal energy at 298.15 K (Hartree): -417.102873
Enthalpy at 298.15 K (Hartree): -417.101929
Free energy at 298.15 K (Hartree): -417.146017
Heat capacity at 298.15 K (cal/mol K): 31.4
Atomization energy at 0 K (kcal/mol): -1522.126618485
Atomization energy at 298.15 K (kcal/mol): -1530.733531929
Atomization enthalpy at 298.15 K (kcal/mol): -1539.624079441
Atomization free energy at 298.15 K (kcal/mol): -1415.958370775