Geometry & MOs

Info

ID:	440309
PubChem CID:	135230256
Reduced:	OSN4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	332.109568
ΔH_f, kcal/mol:	98.64
Dipole, Da:	4.18
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylpyridin-2-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole

Drug info:

PubChemData

Smile

CC1=C(ON=C1C)N2C3=CC=CC=C3N=C2SCC4=CC=CC=N4

DOS

IR

Vibrations