Geometry & MOs

Info

ID:	83409
PubChem CID:	49857558
Reduced:	BClF3C5H10 (1)
Stoich.:	ABC3D5E10 (1)
Weight, g/mol:	1314.2484
ΔH_f, kcal/mol:	-288.54
Dipole, Da:	2.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754358
Charge, e:	-2

Chem-info

IUPAC name:

cycloocta-1,5-diene;[3-(4-diphenylphosphanyl-2,6-dimethoxypyridin-3-yl)-2,6-dimethoxypyridin-4-yl]-diphenylphosphane;iridium;dichloride

Drug info:

PubChemData

Smile

[B-](C(CC(C)C)Cl)(F)(F)F

DOS

IR

Vibrations