Geometry & MOs

Info

ID:	132366
PubChem CID:	51349668
Reduced:	N3O5H33C34 (1)
Stoich.:	A3B5C33D34 (1)
Weight, g/mol:	600.13861
ΔH_f, kcal/mol:	-69.97
Dipole, Da:	4.62
IP(EA), eV:	-8.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-[(E)-2-(N-methylanilino)ethenyl]-N,1-diphenylbenzimidazol-3-ium-5-carboxamide;iodide

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=C(C(=O)N1C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(/C=C\C(=O)OCC)C#N)C

DOS

IR

Vibrations