Geometry & MOs

Info

ID:

376775

PubChem CID:

134222801

Reduced:

O3F8H26C29 (1)

Stoich.:

A3B8C26D29 (1)

Weight, g/mol:

528.189927

ΔHf, kcal/mol:

-466.09

Dipole, Da:

10.47

IP(EA), eV:

 -9.55(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[[4-[4-(ethoxymethyl)cyclohexyl]-2,6-difluorocyclohexa-1,3-dien-1-yl]-difluoromethoxy]phenyl]-1,2,3-trifluorobenzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)COC2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F)F

DOS

IR

Vibrations