Geometry & MOs

Info

ID:	128898
PubChem CID:	51062670
Reduced:	N3O3Cl4H5C14 (1)
Stoich.:	A3B3C4D5E14 (1)
Weight, g/mol:	478.07712
ΔH_f, kcal/mol:	-30.75
Dipole, Da:	2.58
IP(EA), eV:	-9.9(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-chlorophenyl)ethanone;bromide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2C(=O)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O

DOS

IR

Vibrations