Molecule SMILES: CC(C)N(C)C(=O)CO
Rotational constants A, B, C (GHz): 2.98742, 0.93009, 0.8456
Dipole moment mu (Debye): 4.4919
Isotropic polarizability alpha (Bohr^3): 80.12
HOMO energy (Hartree): -0.2455
LUMO energy (Hartree): 0.0243
HOMO-LUMO gap (Hartree): 0.2698
Electronic spatial extent r2 (Bohr^2): 1490.2996
Zero-point vibrational energy (Hartree): 0.191917
Internal energy at 0 K (Hartree): -441.517243
Internal energy at 298.15 K (Hartree): -441.506288
Enthalpy at 298.15 K (Hartree): -441.505344
Free energy at 298.15 K (Hartree): -441.553728
Heat capacity at 298.15 K (cal/mol K): 39.166
Atomization energy at 0 K (kcal/mol): -2020.6059628871
Atomization energy at 298.15 K (kcal/mol): -2033.283527214
Atomization enthalpy at 298.15 K (kcal/mol): -2045.731423247
Atomization free energy at 298.15 K (kcal/mol): -1873.625157326