Geometry & MOs

Info

ID:

297428

PubChem CID:

117617247

Reduced:

F3O3C26H39 (1)

Stoich.:

A3B3C26D39 (1)

Weight, g/mol:

690.331921

ΔHf, kcal/mol:

-298.03

Dipole, Da:

1.16

IP(EA), eV:

 -8.51(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-butoxy-4-[3-[4-[3,3-difluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]propoxy]-2,3-difluorophenyl]-2,2-difluoropropoxy]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)OCC(C(C2CCC(CC2)OCC3CCC(CC3)C)F)F)F

DOS

IR

Vibrations