Geometry & MOs

Info

ID:

376820

PubChem CID:

134222846

Reduced:

O3F8H26C29 (1)

Stoich.:

A3B8C26D29 (1)

Weight, g/mol:

608.177312

ΔHf, kcal/mol:

-487.04

Dipole, Da:

10.6

IP(EA), eV:

 -9.63(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C=C4)OC(F)(F)F)F)(F)F)F

DOS

IR

Vibrations