Geometry & MOs

Info

ID:	250334
PubChem CID:	103095779
Reduced:	ClN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	292.043712
ΔH_f, kcal/mol:	-21.75
Dipole, Da:	2.6
IP(EA), eV:	-9.27(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-benzothiophen-3-yl)-3-(1-chlorobutyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=CC=CC=C2OCC)Cl

DOS

IR

Vibrations