Geometry & MOs

Info

ID:

376421

PubChem CID:

134222434

Reduced:

O2F5C37H41 (1)

Stoich.:

A2B5C37D41 (1)

Weight, g/mol:

654.181648

ΔHf, kcal/mol:

-304.44

Dipole, Da:

6.08

IP(EA), eV:

 -9.26(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyloxane

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2CCC(=CC2)C3=CC=C(C=C3)C4=CC(=C(C=C4)C(OC5=CC(=C(C=C5)OCF)F)(F)F)F

DOS

IR

Vibrations