Molecule SMILES: CCCN(C)C(=O)OC
Rotational constants A, B, C (GHz): 3.19268, 0.86347, 0.73128
Dipole moment mu (Debye): 2.1591
Isotropic polarizability alpha (Bohr^3): 80.82
HOMO energy (Hartree): -0.2328
LUMO energy (Hartree): 0.0635
HOMO-LUMO gap (Hartree): 0.2963
Electronic spatial extent r2 (Bohr^2): 1645.3152
Zero-point vibrational energy (Hartree): 0.19214
Internal energy at 0 K (Hartree): -441.53018
Internal energy at 298.15 K (Hartree): -441.518708
Enthalpy at 298.15 K (Hartree): -441.517764
Free energy at 298.15 K (Hartree): -441.56857
Heat capacity at 298.15 K (cal/mol K): 38.514
Atomization energy at 0 K (kcal/mol): -2028.72404682
Atomization energy at 298.15 K (kcal/mol): -2041.0771889941
Atomization enthalpy at 298.15 K (kcal/mol): -2053.525085027
Atomization free energy at 298.15 K (kcal/mol): -1882.9386459041