Geometry & MOs

Info

ID:	438246
PubChem CID:	135227973
Reduced:	FON2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	413.176422
ΔH_f, kcal/mol:	33.39
Dipole, Da:	6.24
IP(EA), eV:	-8.54(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/2\C(=CC=CN2)F)/N=O

DOS

IR

Vibrations