Geometry & MOs

Info

ID:

376351

PubChem CID:

134222362

Reduced:

O4F8H26C29 (1)

Stoich.:

A4B8C26D29 (1)

Weight, g/mol:

590.133949

ΔHf, kcal/mol:

-509.86

Dipole, Da:

7.46

IP(EA), eV:

 -9.68(-1.3)

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]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CCCCCC1COC(OC1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F)F

DOS

IR

Vibrations