Geometry & MOs

Info

ID:	89131
PubChem CID:	49959551
Reduced:	N2Br3O3H15C18 (1)
Stoich.:	A2B3C3D15E18 (1)
Weight, g/mol:	449.94015
ΔH_f, kcal/mol:	-2.78
Dipole, Da:	6.94
IP(EA), eV:	-9.07(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dibromophenoxy)methyl]-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=C(C=C(C=C3)Br)Br)Br

DOS

IR

Vibrations