Molecule SMILES: CC1OC(=N)C1N(C)C
Rotational constants A, B, C (GHz): 2.08345, 1.60041, 1.01185
Dipole moment mu (Debye): 2.5063
Isotropic polarizability alpha (Bohr^3): 81
HOMO energy (Hartree): -0.2219
LUMO energy (Hartree): 0.0238
HOMO-LUMO gap (Hartree): 0.2457
Electronic spatial extent r2 (Bohr^2): 1236.3365
Zero-point vibrational energy (Hartree): 0.181403
Internal energy at 0 K (Hartree): -420.394035
Internal energy at 298.15 K (Hartree): -420.384316
Enthalpy at 298.15 K (Hartree): -420.383372
Free energy at 298.15 K (Hartree): -420.428466
Heat capacity at 298.15 K (cal/mol K): 35.954
Atomization energy at 0 K (kcal/mol): -1931.363515434
Atomization energy at 298.15 K (kcal/mol): -1943.928128141
Atomization enthalpy at 298.15 K (kcal/mol): -1955.783028169
Atomization free energy at 298.15 K (kcal/mol): -1789.727204026