Geometry & MOs

Info

ID:

230158

PubChem CID:

87570324

Reduced:

TiCl2H9C10 (1)

Stoich.:

AB2C9D10 (1)

Weight, g/mol:

329.954

ΔHf, kcal/mol:

-44.22

Dipole, Da:

7.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.017405

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2[CH-]1.[Cl-].[Cl-].[Ti+3]

DOS

IR

Vibrations