Geometry & MOs

Info

ID:	438294
PubChem CID:	135228026
Reduced:	FN5H22C24 (1)
Stoich.:	AB5C22D24 (1)
Weight, g/mol:	412.181173
ΔH_f, kcal/mol:	114.36
Dipole, Da:	6.2
IP(EA), eV:	-8.17(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N1)C)C2=CC3=C(C=C2)N=C(N3C(C4=CC=CC=C4)C5=C(C=CC=N5)F)C

DOS

IR

Vibrations