Molecule SMILES: CN(C)C1C2OCOC12
Rotational constants A, B, C (GHz): 2.75688, 1.41954, 1.28403
Dipole moment mu (Debye): 1.391
Isotropic polarizability alpha (Bohr^3): 75.11
HOMO energy (Hartree): -0.2094
LUMO energy (Hartree): 0.0788
HOMO-LUMO gap (Hartree): 0.2882
Electronic spatial extent r2 (Bohr^2): 1098.4748
Zero-point vibrational energy (Hartree): 0.170506
Internal energy at 0 K (Hartree): -440.235319
Internal energy at 298.15 K (Hartree): -440.226478
Enthalpy at 298.15 K (Hartree): -440.225534
Free energy at 298.15 K (Hartree): -440.269065
Heat capacity at 298.15 K (cal/mol K): 32.608
Atomization energy at 0 K (kcal/mol): -1844.038735485
Atomization energy at 298.15 K (kcal/mol): -1856.26574835
Atomization enthalpy at 298.15 K (kcal/mol): -1867.527652373
Atomization free energy at 298.15 K (kcal/mol): -1708.710144545