Molecule SMILES: NC(=[NH2+])OCCC([O-])=O
Rotational constants A, B, C (GHz): 1.59491, 0.88865, 0.72604
Dipole moment mu (Debye): 3.9409
Isotropic polarizability alpha (Bohr^3): 65.3
HOMO energy (Hartree): -0.2568
LUMO energy (Hartree): 0.0282
HOMO-LUMO gap (Hartree): 0.285
Electronic spatial extent r2 (Bohr^2): 1663.8949
Zero-point vibrational energy (Hartree): 0.128581
Internal energy at 0 K (Hartree): -492.364316
Internal energy at 298.15 K (Hartree): -492.350791
Enthalpy at 298.15 K (Hartree): -492.349847
Free energy at 298.15 K (Hartree): -492.410009
Heat capacity at 298.15 K (cal/mol K): 40.762
Atomization energy at 0 K (kcal/mol): -1640.048109765
Atomization energy at 298.15 K (kcal/mol): -1646.668957224
Atomization enthalpy at 298.15 K (kcal/mol): -1656.151873232
Atomization free energy at 298.15 K (kcal/mol): -1531.708680915