Geometry & MOs

Info

ID:	89130
PubChem CID:	49959549
Reduced:	ClN2Br3O3H10C16 (1)
Stoich.:	AB2C3D3E10F16 (1)
Weight, g/mol:	545.86123
ΔH_f, kcal/mol:	-1.89
Dipole, Da:	1.38
IP(EA), eV:	-9.33(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-ethylphenoxy)methyl]-5-[(2,4-dibromophenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Br)OCC2=NN=C(O2)COC3=C(C=C(C=C3)Br)Br

DOS

IR

Vibrations