Molecule SMILES: CC(C)N(C)C(=O)OC
Rotational constants A, B, C (GHz): 3.02282, 0.97459, 0.88654
Dipole moment mu (Debye): 2.1721
Isotropic polarizability alpha (Bohr^3): 80.49
HOMO energy (Hartree): -0.2325
LUMO energy (Hartree): 0.0637
HOMO-LUMO gap (Hartree): 0.2962
Electronic spatial extent r2 (Bohr^2): 1461.8421
Zero-point vibrational energy (Hartree): 0.191684
Internal energy at 0 K (Hartree): -441.530925
Internal energy at 298.15 K (Hartree): -441.519561
Enthalpy at 298.15 K (Hartree): -441.518617
Free energy at 298.15 K (Hartree): -441.56826
Heat capacity at 298.15 K (cal/mol K): 39.224
Atomization energy at 0 K (kcal/mol): -2029.1915410251
Atomization energy at 298.15 K (kcal/mol): -2041.612454171
Atomization enthalpy at 298.15 K (kcal/mol): -2054.060350204
Atomization free energy at 298.15 K (kcal/mol): -1882.7441181141