Geometry & MOs

Info

ID:	250300
PubChem CID:	103095470
Reduced:	ClON4C9H9 (1)
Stoich.:	ABC4D9E9 (1)
Weight, g/mol:	313.98215
ΔH_f, kcal/mol:	52.78
Dipole, Da:	2.09
IP(EA), eV:	-10.72(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CN=CN=C2)Cl

DOS

IR

Vibrations