Molecule SMILES: CN(C)C(=O)OC
Rotational constants A, B, C (GHz): 4.84841, 2.00485, 1.45733
Dipole moment mu (Debye): 2.2499
Isotropic polarizability alpha (Bohr^3): 59.15
HOMO energy (Hartree): -0.2359
LUMO energy (Hartree): 0.0636
HOMO-LUMO gap (Hartree): 0.2995
Electronic spatial extent r2 (Bohr^2): 847.0436
Zero-point vibrational energy (Hartree): 0.13503
Internal energy at 0 K (Hartree): -362.951503
Internal energy at 298.15 K (Hartree): -362.942526
Enthalpy at 298.15 K (Hartree): -362.941582
Free energy at 298.15 K (Hartree): -362.986677
Heat capacity at 298.15 K (cal/mol K): 28.805
Atomization energy at 0 K (kcal/mol): -1473.9803629511
Atomization energy at 298.15 K (kcal/mol): -1482.566568598
Atomization enthalpy at 298.15 K (kcal/mol): -1491.457743619
Atomization free energy at 298.15 K (kcal/mol): -1371.173053445