Molecule SMILES: CC1OC(=O)C1N(C)C
Rotational constants A, B, C (GHz): 2.09557, 1.60017, 1.01505
Dipole moment mu (Debye): 4.0487
Isotropic polarizability alpha (Bohr^3): 75.82
HOMO energy (Hartree): -0.2296
LUMO energy (Hartree): 0.0069
HOMO-LUMO gap (Hartree): 0.2365
Electronic spatial extent r2 (Bohr^2): 1216.4474
Zero-point vibrational energy (Hartree): 0.169303
Internal energy at 0 K (Hartree): -440.29852
Internal energy at 298.15 K (Hartree): -440.288896
Enthalpy at 298.15 K (Hartree): -440.287952
Free energy at 298.15 K (Hartree): -440.33297
Heat capacity at 298.15 K (cal/mol K): 34.991
Atomization energy at 0 K (kcal/mol): -1883.6979317941
Atomization energy at 298.15 K (kcal/mol): -1895.433605112
Atomization enthalpy at 298.15 K (kcal/mol): -1906.695509135
Atomization free energy at 298.15 K (kcal/mol): -1748.81110719