Molecule SMILES: CCN(C)C(=O)OC
Rotational constants A, B, C (GHz): 3.64474, 1.36545, 1.09715
Dipole moment mu (Debye): 2.1909
Isotropic polarizability alpha (Bohr^3): 69.59
HOMO energy (Hartree): -0.2342
LUMO energy (Hartree): 0.0629
HOMO-LUMO gap (Hartree): 0.2971
Electronic spatial extent r2 (Bohr^2): 1143.9913
Zero-point vibrational energy (Hartree): 0.163706
Internal energy at 0 K (Hartree): -402.241601
Internal energy at 298.15 K (Hartree): -402.231502
Enthalpy at 298.15 K (Hartree): -402.230558
Free energy at 298.15 K (Hartree): -402.277872
Heat capacity at 298.15 K (cal/mol K): 33.62
Atomization energy at 0 K (kcal/mol): -1751.828797971
Atomization energy at 298.15 K (kcal/mol): -1762.377224261
Atomization enthalpy at 298.15 K (kcal/mol): -1773.046759788
Atomization free energy at 298.15 K (kcal/mol): -1627.211785661