Geometry & MOs

Info

ID:	10755
PubChem CID:	107589
Reduced:	ICl2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	487.0079
ΔH_f, kcal/mol:	65.64
Dipole, Da:	20.68
IP(EA), eV:	-6.78(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5,6-dichloro-1,3-diethylbenzimidazol-3-ium-2-yl)ethenyl]aniline;iodide

Drug info:

PubChemData

Smile

CCN1C2=CC(=C(C=C2[N+](=C1C=CNC3=CC=CC=C3)CC)Cl)Cl.[I-]

DOS

IR

Vibrations