Molecule SMILES: CC(C)(C(=O)N(C)C)O
Rotational constants A, B, C (GHz): 2.38428, 1.27366, 1.03332
Dipole moment mu (Debye): 4.475
Isotropic polarizability alpha (Bohr^3): 80.69
HOMO energy (Hartree): -0.2328
LUMO energy (Hartree): 0.0343
HOMO-LUMO gap (Hartree): 0.2671
Electronic spatial extent r2 (Bohr^2): 1289.2198
Zero-point vibrational energy (Hartree): 0.190083
Internal energy at 0 K (Hartree): -441.501792
Internal energy at 298.15 K (Hartree): -441.49016
Enthalpy at 298.15 K (Hartree): -441.489216
Free energy at 298.15 K (Hartree): -441.540702
Heat capacity at 298.15 K (cal/mol K): 41.031
Atomization energy at 0 K (kcal/mol): -2010.9103213281
Atomization energy at 298.15 K (kcal/mol): -2023.163062062
Atomization enthalpy at 298.15 K (kcal/mol): -2035.610958095
Atomization free energy at 298.15 K (kcal/mol): -1865.451225092