Molecule SMILES: CN(C)C(=O)C1COC1
Rotational constants A, B, C (GHz): 3.19007, 1.095, 0.88951
Dipole moment mu (Debye): 4.2083
Isotropic polarizability alpha (Bohr^3): 76.91
HOMO energy (Hartree): -0.2433
LUMO energy (Hartree): 0.0207
HOMO-LUMO gap (Hartree): 0.264
Electronic spatial extent r2 (Bohr^2): 1343.3077
Zero-point vibrational energy (Hartree): 0.170043
Internal energy at 0 K (Hartree): -440.284414
Internal energy at 298.15 K (Hartree): -440.274462
Enthalpy at 298.15 K (Hartree): -440.273518
Free energy at 298.15 K (Hartree): -440.320426
Heat capacity at 298.15 K (cal/mol K): 34.254
Atomization energy at 0 K (kcal/mol): -1874.8462898401
Atomization energy at 298.15 K (kcal/mol): -1886.376140206
Atomization enthalpy at 298.15 K (kcal/mol): -1897.6380442291
Atomization free energy at 298.15 K (kcal/mol): -1740.939634294