Geometry & MOs

Info

ID:	387999
PubChem CID:	134987775
Reduced:	H2Cl4N4C7 (1)
Stoich.:	A2B4C4D7 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	79.67
Dipole, Da:	2.49
IP(EA), eV:	-9.72(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-methoxy-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

C1=NC2=C(C(=N1)Cl)N=CN2C(=C(Cl)Cl)Cl

DOS

IR

Vibrations