Geometry & MOs

Info

ID:

414022

PubChem CID:

135086975

Reduced:

FN2O3H8C10 (1)

Stoich.:

AB2C3D8E10 (1)

Weight, g/mol:

439.94979

ΔHf, kcal/mol:

-82.24

Dipole, Da:

5.3

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760183

Charge, e:

 0

Chem-info

IUPAC name:

1-iodo-2-[(Z)-5-iodooct-4-en-4-yl]benzene

Drug info:

PubChemData

Smile

COC(=O)/C(=C(/C1=CC=C(C=C1)F)\O)/[N+]#N

DOS

IR

Vibrations