Geometry & MOs

Info

ID:	89160
PubChem CID:	49959704
Reduced:	ClBr2N2O3H11C16 (1)
Stoich.:	AB2C2D3E11F16 (1)
Weight, g/mol:	467.95072
ΔH_f, kcal/mol:	-3.6
Dipole, Da:	4.87
IP(EA), eV:	-9.28(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis[(2-bromo-4-methylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Br)Br

DOS

IR

Vibrations