Geometry & MOs

Info

ID:	128017
PubChem CID:	51026846
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	871.08062
ΔH_f, kcal/mol:	-124.57
Dipole, Da:	2.42
IP(EA), eV:	-9.76(0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5,6-dibromo-2-[(E)-3-(5,6-dibromo-1-ethyl-3-octylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-1-ethyl-3-octylbenzimidazole

Drug info:

PubChemData

Smile

COC(=O)C1CC[C@H]2C=CC[C@H]1C2=O

DOS

IR

Vibrations