Molecule SMILES: CC(=O)N(C)C(C)(C)C
Rotational constants A, B, C (GHz): 2.31945, 1.32579, 1.0543
Dipole moment mu (Debye): 3.3413
Isotropic polarizability alpha (Bohr^3): 86.27
HOMO energy (Hartree): -0.2308
LUMO energy (Hartree): 0.0336
HOMO-LUMO gap (Hartree): 0.2643
Electronic spatial extent r2 (Bohr^2): 1302.3177
Zero-point vibrational energy (Hartree): 0.214499
Internal energy at 0 K (Hartree): -405.584239
Internal energy at 298.15 K (Hartree): -405.573013
Enthalpy at 298.15 K (Hartree): -405.572069
Free energy at 298.15 K (Hartree): -405.620315
Heat capacity at 298.15 K (cal/mol K): 41.832
Atomization energy at 0 K (kcal/mol): -2198.9797887
Atomization energy at 298.15 K (kcal/mol): -2213.265031085
Atomization enthalpy at 298.15 K (kcal/mol): -2226.898919128
Atomization free energy at 298.15 K (kcal/mol): -2038.627393858