Molecule SMILES: CCCOC1CN(C1)C
Rotational constants A, B, C (GHz): 5.53208, 0.6091, 0.59116
Dipole moment mu (Debye): 1.3979
Isotropic polarizability alpha (Bohr^3): 88.68
HOMO energy (Hartree): -0.2065
LUMO energy (Hartree): 0.0892
HOMO-LUMO gap (Hartree): 0.2958
Electronic spatial extent r2 (Bohr^2): 2028.3634
Zero-point vibrational energy (Hartree): 0.215553
Internal energy at 0 K (Hartree): -405.517259
Internal energy at 298.15 K (Hartree): -405.506633
Enthalpy at 298.15 K (Hartree): -405.505689
Free energy at 298.15 K (Hartree): -405.553951
Heat capacity at 298.15 K (cal/mol K): 37.937
Atomization energy at 0 K (kcal/mol): -2156.9492358801
Atomization energy at 298.15 K (kcal/mol): -2171.6109836651
Atomization enthalpy at 298.15 K (kcal/mol): -2185.244871708
Atomization free energy at 298.15 K (kcal/mol): -1996.983386582