Geometry & MOs

Info

ID:

181766

PubChem CID:

76790626

Reduced:

OF3C19H20 (2)

Stoich.:

AB3C19D20 (2)

Weight, g/mol:

658.288164

ΔHf, kcal/mol:

-311.05

Dipole, Da:

5.38

IP(EA), eV:

 -9.03(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]cyclohexyl] 4-(2,3-difluoro-4-pent-3-enylphenyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C(=C(C=C1)C2=CCC(CC2)C3CCC(CC3)COC4=C(C(=C(C=C4)C5=C(C(=C(C=C5)CCC=CC)F)F)F)F)F)F

DOS

IR

Vibrations