Molecule SMILES: CN(CC([O-])=O)C(C)=[NH2+]
Rotational constants A, B, C (GHz): 2.72665, 1.19782, 0.92476
Dipole moment mu (Debye): 6.5248
Isotropic polarizability alpha (Bohr^3): 74.52
HOMO energy (Hartree): -0.23
LUMO energy (Hartree): 0.0066
HOMO-LUMO gap (Hartree): 0.2366
Electronic spatial extent r2 (Bohr^2): 1287.4278
Zero-point vibrational energy (Hartree): 0.158561
Internal energy at 0 K (Hartree): -456.391607
Internal energy at 298.15 K (Hartree): -456.381825
Enthalpy at 298.15 K (Hartree): -456.38088
Free energy at 298.15 K (Hartree): -456.426992
Heat capacity at 298.15 K (cal/mol K): 34.711
Atomization energy at 0 K (kcal/mol): -1793.5066907331
Atomization energy at 298.15 K (kcal/mol): -1804.254037376
Atomization enthalpy at 298.15 K (kcal/mol): -1814.922317885
Atomization free energy at 298.15 K (kcal/mol): -1665.583961011