Molecule SMILES: CCOC1(CN(C1)C)C
Rotational constants A, B, C (GHz): 2.91838, 0.95622, 0.84042
Dipole moment mu (Debye): 1.4896
Isotropic polarizability alpha (Bohr^3): 87.71
HOMO energy (Hartree): -0.2051
LUMO energy (Hartree): 0.0828
HOMO-LUMO gap (Hartree): 0.288
Electronic spatial extent r2 (Bohr^2): 1541.5902
Zero-point vibrational energy (Hartree): 0.214761
Internal energy at 0 K (Hartree): -405.521158
Internal energy at 298.15 K (Hartree): -405.510532
Enthalpy at 298.15 K (Hartree): -405.509588
Free energy at 298.15 K (Hartree): -405.556925
Heat capacity at 298.15 K (cal/mol K): 39.148
Atomization energy at 0 K (kcal/mol): -2159.3958934711
Atomization energy at 298.15 K (kcal/mol): -2174.057641256
Atomization enthalpy at 298.15 K (kcal/mol): -2187.691529299
Atomization free energy at 298.15 K (kcal/mol): -1998.849598348