Geometry & MOs

Info

ID:	438218
PubChem CID:	135227912
Reduced:	ON5H21C24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	461.117401
ΔH_f, kcal/mol:	120.04
Dipole, Da:	6.9
IP(EA), eV:	-8.41(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bis(4-chlorophenyl)methyl]-6-(3,5-dimethyltriazol-4-yl)-2-methylbenzimidazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N=C(N3C(C4=CC=CC=N4)C5=CC=CC=N5)C

DOS

IR

Vibrations