Molecule SMILES: CN(C)C(=O)OC1CC1
Rotational constants A, B, C (GHz): 3.66935, 0.95049, 0.8092
Dipole moment mu (Debye): 2.3
Isotropic polarizability alpha (Bohr^3): 78.26
HOMO energy (Hartree): -0.2356
LUMO energy (Hartree): 0.0618
HOMO-LUMO gap (Hartree): 0.2974
Electronic spatial extent r2 (Bohr^2): 1476.1926
Zero-point vibrational energy (Hartree): 0.169066
Internal energy at 0 K (Hartree): -440.306344
Internal energy at 298.15 K (Hartree): -440.296055
Enthalpy at 298.15 K (Hartree): -440.295111
Free energy at 298.15 K (Hartree): -440.34316
Heat capacity at 298.15 K (cal/mol K): 35.529
Atomization energy at 0 K (kcal/mol): -1888.6075622101
Atomization energy at 298.15 K (kcal/mol): -1899.9259420431
Atomization enthalpy at 298.15 K (kcal/mol): -1911.1878460661
Atomization free energy at 298.15 K (kcal/mol): -1755.2054239