Geometry & MOs

Info

ID:	89129
PubChem CID:	49959543
Reduced:	BrClN3O5H11C16 (1)
Stoich.:	ABC3D5E11F16 (1)
Weight, g/mol:	551.79096
ΔH_f, kcal/mol:	-13.63
Dipole, Da:	4.92
IP(EA), eV:	-9.54(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])OCC2=NN=C(O2)COC3=C(C=C(C=C3)Br)Cl

DOS

IR

Vibrations