Molecule SMILES: CC1CN(C)C(=O)CO1
Rotational constants A, B, C (GHz): 2.8494, 1.32514, 0.94493
Dipole moment mu (Debye): 3.6499
Isotropic polarizability alpha (Bohr^3): 76.89
HOMO energy (Hartree): -0.2337
LUMO energy (Hartree): 0.029
HOMO-LUMO gap (Hartree): 0.2628
Electronic spatial extent r2 (Bohr^2): 1260.1358
Zero-point vibrational energy (Hartree): 0.171244
Internal energy at 0 K (Hartree): -440.326523
Internal energy at 298.15 K (Hartree): -440.317328
Enthalpy at 298.15 K (Hartree): -440.316384
Free energy at 298.15 K (Hartree): -440.360452
Heat capacity at 298.15 K (cal/mol K): 33.748
Atomization energy at 0 K (kcal/mol): -1901.2700663211
Atomization energy at 298.15 K (kcal/mol): -1913.274941
Atomization enthalpy at 298.15 K (kcal/mol): -1924.536845023
Atomization free energy at 298.15 K (kcal/mol): -1766.056309528