Geometry & MOs

Info

ID:	438205
PubChem CID:	135227898
Reduced:	FON2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	398.165523
ΔH_f, kcal/mol:	26.72
Dipole, Da:	7.62
IP(EA), eV:	-8.38(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyltriazol-4-yl)-1-[(4-fluorophenyl)-pyridin-2-ylmethyl]benzimidazole

Drug info:

PubChemData

Smile

C1=C/C(=C(/C2=CC=C(C=C2)F)\N=O)/NC=C1

DOS

IR

Vibrations