Geometry & MOs

Info

ID:	398710
PubChem CID:	135034962
Reduced:	PdO2C6H11 (1)
Stoich.:	AB2C6D11 (1)
Weight, g/mol:	856.16858
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	2.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755883
Charge, e:	2

Chem-info

IUPAC name:

2-iodo-1-[3-(2-iodo-3-octylbenzimidazol-3-ium-1-yl)-2-(trifluoromethyl)phenyl]-3-octylbenzimidazol-3-ium

Drug info:

PubChemData

Smile

[CH2-]CC1(CCCO1)O.[Pd]

DOS

IR

Vibrations