Molecule SMILES: CN(C)C(=O)C(=O)OC
Rotational constants A, B, C (GHz): 3.17622, 1.06018, 0.88342
Dipole moment mu (Debye): 2.8621
Isotropic polarizability alpha (Bohr^3): 72.03
HOMO energy (Hartree): -0.2446
LUMO energy (Hartree): -0.0233
HOMO-LUMO gap (Hartree): 0.2213
Electronic spatial extent r2 (Bohr^2): 1364.2282
Zero-point vibrational energy (Hartree): 0.144959
Internal energy at 0 K (Hartree): -476.269829
Internal energy at 298.15 K (Hartree): -476.259154
Enthalpy at 298.15 K (Hartree): -476.25821
Free energy at 298.15 K (Hartree): -476.306733
Heat capacity at 298.15 K (cal/mol K): 35.305
Atomization energy at 0 K (kcal/mol): -1729.3608382261
Atomization energy at 298.15 K (kcal/mol): -1738.659266588
Atomization enthalpy at 298.15 K (kcal/mol): -1748.735178601
Atomization free energy at 298.15 K (kcal/mol): -1609.128858808