Geometry & MOs

Info

ID:	438230
PubChem CID:	135227924
Reduced:	FN4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	408.206245
ΔH_f, kcal/mol:	27.73
Dipole, Da:	6.39
IP(EA), eV:	-9.06(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyltriazol-4-yl)-2-methyl-1-[(5-methylpyridin-2-yl)-phenylmethyl]benzimidazole

Drug info:

PubChemData

Smile

CCC=NC1=C(C=C(C=C1C)C2=C(N=NN2C)C)F

DOS

IR

Vibrations