Molecule SMILES: CN(C)C(=O)N(C)C
Rotational constants A, B, C (GHz): 3.14668, 1.6375, 1.21335
Dipole moment mu (Debye): 3.1528
Isotropic polarizability alpha (Bohr^3): 73.76
HOMO energy (Hartree): -0.226
LUMO energy (Hartree): 0.0507
HOMO-LUMO gap (Hartree): 0.2767
Electronic spatial extent r2 (Bohr^2): 1070.5864
Zero-point vibrational energy (Hartree): 0.175597
Internal energy at 0 K (Hartree): -382.344178
Internal energy at 298.15 K (Hartree): -382.334012
Enthalpy at 298.15 K (Hartree): -382.333068
Free energy at 298.15 K (Hartree): -382.37911
Heat capacity at 298.15 K (cal/mol K): 34.932
Atomization energy at 0 K (kcal/mol): -1803.925850169
Atomization energy at 298.15 K (kcal/mol): -1815.3207861
Atomization enthalpy at 298.15 K (kcal/mol): -1826.583317632
Atomization free energy at 298.15 K (kcal/mol): -1671.731039175