Molecule SMILES: CCOC1CN(C1)C
Rotational constants A, B, C (GHz): 6.23711, 0.93558, 0.90513
Dipole moment mu (Debye): 1.4643
Isotropic polarizability alpha (Bohr^3): 77.43
HOMO energy (Hartree): -0.2068
LUMO energy (Hartree): 0.0888
HOMO-LUMO gap (Hartree): 0.2956
Electronic spatial extent r2 (Bohr^2): 1386.6187
Zero-point vibrational energy (Hartree): 0.187175
Internal energy at 0 K (Hartree): -366.22888
Internal energy at 298.15 K (Hartree): -366.219637
Enthalpy at 298.15 K (Hartree): -366.218693
Free energy at 298.15 K (Hartree): -366.263249
Heat capacity at 298.15 K (cal/mol K): 33.048
Atomization energy at 0 K (kcal/mol): -1880.1794888311
Atomization energy at 298.15 K (kcal/mol): -1893.042795822
Atomization enthalpy at 298.15 K (kcal/mol): -1904.898323359
Atomization free energy at 298.15 K (kcal/mol): -1741.254016303