Geometry & MOs

Info

ID:	250286
PubChem CID:	103095337
Reduced:	ClOSN2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	244.134241
ΔH_f, kcal/mol:	22.64
Dipole, Da:	3.97
IP(EA), eV:	-9.37(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chloropropyl)-5-heptyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=C(C=CS2)C)Cl

DOS

IR

Vibrations