Geometry & MOs

Info

ID:	88869
PubChem CID:	49957343
Reduced:	OSN7H9C11 (1)
Stoich.:	ABC7D9E11 (1)
Weight, g/mol:	386.09681
ΔH_f, kcal/mol:	127.6
Dipole, Da:	5.0
IP(EA), eV:	-9.27(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenoxy)ethylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]benzimidazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3N2C4=NN=C(N4N3)SCC(=O)N

DOS

IR

Vibrations