Molecule SMILES: CN(C)C(=O)CCCO
Rotational constants A, B, C (GHz): 4.16052, 0.64315, 0.56684
Dipole moment mu (Debye): 4.5821
Isotropic polarizability alpha (Bohr^3): 81.71
HOMO energy (Hartree): -0.2347
LUMO energy (Hartree): 0.0349
HOMO-LUMO gap (Hartree): 0.2696
Electronic spatial extent r2 (Bohr^2): 1964.4222
Zero-point vibrational energy (Hartree): 0.191628
Internal energy at 0 K (Hartree): -441.508839
Internal energy at 298.15 K (Hartree): -441.497253
Enthalpy at 298.15 K (Hartree): -441.496308
Free energy at 298.15 K (Hartree): -441.54733
Heat capacity at 298.15 K (cal/mol K): 39.177
Atomization energy at 0 K (kcal/mol): -2015.3323772511
Atomization energy at 298.15 K (kcal/mol): -2027.613983399
Atomization enthalpy at 298.15 K (kcal/mol): -2040.061251923
Atomization free energy at 298.15 K (kcal/mol): -1869.610354744