Molecule SMILES: CC1OCCN(C)C1=O
Rotational constants A, B, C (GHz): 2.21297, 1.72008, 1.04443
Dipole moment mu (Debye): 3.2518
Isotropic polarizability alpha (Bohr^3): 76.9
HOMO energy (Hartree): -0.2332
LUMO energy (Hartree): 0.0265
HOMO-LUMO gap (Hartree): 0.2597
Electronic spatial extent r2 (Bohr^2): 1177.5824
Zero-point vibrational energy (Hartree): 0.171484
Internal energy at 0 K (Hartree): -440.325672
Internal energy at 298.15 K (Hartree): -440.316553
Enthalpy at 298.15 K (Hartree): -440.315609
Free energy at 298.15 K (Hartree): -440.359602
Heat capacity at 298.15 K (cal/mol K): 33.562
Atomization energy at 0 K (kcal/mol): -1900.736056162
Atomization energy at 298.15 K (kcal/mol): -1912.788621525
Atomization enthalpy at 298.15 K (kcal/mol): -1924.050525548
Atomization free energy at 298.15 K (kcal/mol): -1765.5229268781