Geometry & MOs

Info

ID:	250298
PubChem CID:	103095453
Reduced:	ClON2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	319.93857
ΔH_f, kcal/mol:	51.1
Dipole, Da:	3.26
IP(EA), eV:	-9.71(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromo-4-methylthiophen-2-yl)-3-(1-chloropropyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2CC3=CC=CC=C23)Cl

DOS

IR

Vibrations