Molecule SMILES: CC(N)(C(N)=[NH2+])C([O-])=O
Rotational constants A, B, C (GHz): 1.73329, 1.20539, 0.97148
Dipole moment mu (Debye): 2.2084
Isotropic polarizability alpha (Bohr^3): 72.09
HOMO energy (Hartree): -0.1663
LUMO energy (Hartree): 0.0331
HOMO-LUMO gap (Hartree): 0.1994
Electronic spatial extent r2 (Bohr^2): 1327.973
Zero-point vibrational energy (Hartree): 0.14432
Internal energy at 0 K (Hartree): -472.453268
Internal energy at 298.15 K (Hartree): -472.44141
Enthalpy at 298.15 K (Hartree): -472.440465
Free energy at 298.15 K (Hartree): -472.492683
Heat capacity at 298.15 K (cal/mol K): 39.587
Atomization energy at 0 K (kcal/mol): -1683.595351838
Atomization energy at 298.15 K (kcal/mol): -1692.1508095441
Atomization enthalpy at 298.15 K (kcal/mol): -1702.226094048
Atomization free energy at 298.15 K (kcal/mol): -1564.578857353