Molecule SMILES: CC(=O)N(C)C(=N)CO
Rotational constants A, B, C (GHz): 2.73167, 1.17592, 0.84079
Dipole moment mu (Debye): 2.7308
Isotropic polarizability alpha (Bohr^3): 75.46
HOMO energy (Hartree): -0.2484
LUMO energy (Hartree): -0.0089
HOMO-LUMO gap (Hartree): 0.2395
Electronic spatial extent r2 (Bohr^2): 1358.1438
Zero-point vibrational energy (Hartree): 0.158146
Internal energy at 0 K (Hartree): -456.373928
Internal energy at 298.15 K (Hartree): -456.363827
Enthalpy at 298.15 K (Hartree): -456.362883
Free energy at 298.15 K (Hartree): -456.409844
Heat capacity at 298.15 K (cal/mol K): 36.065
Atomization energy at 0 K (kcal/mol): -1782.412959122
Atomization energy at 298.15 K (kcal/mol): -1792.960130394
Atomization enthalpy at 298.15 K (kcal/mol): -1803.629038412
Atomization free energy at 298.15 K (kcal/mol): -1654.823436679