Molecule SMILES: CN(C)C(=[NH2+])C([O-])=O
Rotational constants A, B, C (GHz): 3.31377, 1.70707, 1.14299
Dipole moment mu (Debye): 8.7929
Isotropic polarizability alpha (Bohr^3): 64.41
HOMO energy (Hartree): -0.2235
LUMO energy (Hartree): -0.0305
HOMO-LUMO gap (Hartree): 0.1931
Electronic spatial extent r2 (Bohr^2): 1007.9659
Zero-point vibrational energy (Hartree): 0.129275
Internal energy at 0 K (Hartree): -417.091698
Internal energy at 298.15 K (Hartree): -417.082822
Enthalpy at 298.15 K (Hartree): -417.081878
Free energy at 298.15 K (Hartree): -417.125473
Heat capacity at 298.15 K (cal/mol K): 31.156
Atomization energy at 0 K (kcal/mol): -1509.501764914
Atomization energy at 298.15 K (kcal/mol): -1518.1513489701
Atomization enthalpy at 298.15 K (kcal/mol): -1527.041896482
Atomization free energy at 298.15 K (kcal/mol): -1403.066825879