Molecule SMILES: CC1NC(=O)OC1(C)C
Rotational constants A, B, C (GHz): 2.25356, 1.54832, 1.22747
Dipole moment mu (Debye): 4.9956
Isotropic polarizability alpha (Bohr^3): 74.67
HOMO energy (Hartree): -0.2572
LUMO energy (Hartree): 0.058
HOMO-LUMO gap (Hartree): 0.3152
Electronic spatial extent r2 (Bohr^2): 1125.6587
Zero-point vibrational energy (Hartree): 0.170491
Internal energy at 0 K (Hartree): -440.358072
Internal energy at 298.15 K (Hartree): -440.348957
Enthalpy at 298.15 K (Hartree): -440.348013
Free energy at 298.15 K (Hartree): -440.391326
Heat capacity at 298.15 K (cal/mol K): 35.174
Atomization energy at 0 K (kcal/mol): -1921.067347762
Atomization energy at 298.15 K (kcal/mol): -1933.122423161
Atomization enthalpy at 298.15 K (kcal/mol): -1944.384327184
Atomization free energy at 298.15 K (kcal/mol): -1785.430022394