Geometry & MOs

Info

ID:

376407

PubChem CID:

134222420

Reduced:

O2F7H27C29 (1)

Stoich.:

A2B7C27D29 (1)

Weight, g/mol:

660.171084

ΔHf, kcal/mol:

-385.23

Dipole, Da:

8.36

IP(EA), eV:

 -9.61(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F

DOS

IR

Vibrations