Molecule SMILES: CC(C)N(C)C(=O)C
Rotational constants A, B, C (GHz): 3.01642, 1.42552, 1.24247
Dipole moment mu (Debye): 3.4304
Isotropic polarizability alpha (Bohr^3): 76.07
HOMO energy (Hartree): -0.2311
LUMO energy (Hartree): 0.0371
HOMO-LUMO gap (Hartree): 0.2682
Electronic spatial extent r2 (Bohr^2): 1119.7059
Zero-point vibrational energy (Hartree): 0.18635
Internal energy at 0 K (Hartree): -366.302986
Internal energy at 298.15 K (Hartree): -366.292738
Enthalpy at 298.15 K (Hartree): -366.291793
Free energy at 298.15 K (Hartree): -366.338405
Heat capacity at 298.15 K (cal/mol K): 36.247
Atomization energy at 0 K (kcal/mol): -1926.681670785
Atomization energy at 298.15 K (kcal/mol): -1938.914331231
Atomization enthalpy at 298.15 K (kcal/mol): -1950.769231259
Atomization free energy at 298.15 K (kcal/mol): -1788.415082707