Geometry & MOs

Info

ID:

376410

PubChem CID:

134222423

Reduced:

O3F10H20C30 (1)

Stoich.:

A3B10C20D30 (1)

Weight, g/mol:

578.190321

ΔHf, kcal/mol:

-534.79

Dipole, Da:

10.68

IP(EA), eV:

 -9.6(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[4-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]cyclohexyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C(OC3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F)(F)F)F

DOS

IR

Vibrations