Molecule SMILES: CN(C)C(=O)CCOC
Rotational constants A, B, C (GHz): 4.19877, 0.6758, 0.59289
Dipole moment mu (Debye): 2.4738
Isotropic polarizability alpha (Bohr^3): 82.32
HOMO energy (Hartree): -0.2361
LUMO energy (Hartree): 0.0327
HOMO-LUMO gap (Hartree): 0.2688
Electronic spatial extent r2 (Bohr^2): 1920.7629
Zero-point vibrational energy (Hartree): 0.191466
Internal energy at 0 K (Hartree): -441.502824
Internal energy at 298.15 K (Hartree): -441.491327
Enthalpy at 298.15 K (Hartree): -441.490382
Free energy at 298.15 K (Hartree): -441.540943
Heat capacity at 298.15 K (cal/mol K): 38.637
Atomization energy at 0 K (kcal/mol): -2011.557910616
Atomization energy at 298.15 K (kcal/mol): -2023.895365065
Atomization enthalpy at 298.15 K (kcal/mol): -2036.342633589
Atomization free energy at 298.15 K (kcal/mol): -1865.602454761