Geometry & MOs

Info

ID:	288063
PubChem CID:	104310357
Reduced:	BrClON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	346.90919
ΔH_f, kcal/mol:	39.27
Dipole, Da:	4.59
IP(EA), eV:	-9.32(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-bromopropyl)-3-(3-bromopyridin-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C2=NOC(=N2)CCCCl)Br

DOS

IR

Vibrations