Molecule SMILES: CC1OC(=O)N(C)C1C
Rotational constants A, B, C (GHz): 2.41148, 1.55455, 1.06956
Dipole moment mu (Debye): 4.9279
Isotropic polarizability alpha (Bohr^3): 75.57
HOMO energy (Hartree): -0.2418
LUMO energy (Hartree): 0.0594
HOMO-LUMO gap (Hartree): 0.3012
Electronic spatial extent r2 (Bohr^2): 1178.9104
Zero-point vibrational energy (Hartree): 0.170758
Internal energy at 0 K (Hartree): -440.350406
Internal energy at 298.15 K (Hartree): -440.340981
Enthalpy at 298.15 K (Hartree): -440.340037
Free energy at 298.15 K (Hartree): -440.384556
Heat capacity at 298.15 K (cal/mol K): 34.454
Atomization energy at 0 K (kcal/mol): -1916.2568637681
Atomization energy at 298.15 K (kcal/mol): -1928.1174113771
Atomization enthalpy at 298.15 K (kcal/mol): -1939.3793154
Atomization free energy at 298.15 K (kcal/mol): -1781.181786464