Geometry & MOs

Info

ID:

315456

PubChem CID:

126626787

Reduced:

O2F7H13C22 (1)

Stoich.:

A2B7C13D22 (1)

Weight, g/mol:

578.186734

ΔHf, kcal/mol:

-350.9

Dipole, Da:

4.31

IP(EA), eV:

 -9.57(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[difluoro-[4-[5-fluoro-4-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-dien-1-yl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(OC3=CC(=C(C=C3)OC(C=C(F)F)(F)F)F)(F)F

DOS

IR

Vibrations