Geometry & MOs

Info

ID:

135729

PubChem CID:

51922223

Reduced:

IO3C11H12 (1)

Stoich.:

AB3C11D12 (1)

Weight, g/mol:

329.00385

ΔHf, kcal/mol:

-45.93

Dipole, Da:

5.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.785472

Charge, e:

 -1

Chem-info

IUPAC name:

4-cyclohexyl-3-iodobenzoate

Drug info:

PubChemData

Smile

CC(C)OCC1=C(C=C(C=C1)C(=O)[O-])I

DOS

IR

Vibrations