Geometry & MOs

Info

ID:	89304
PubChem CID:	49960406
Reduced:	BrClN2O2H12C17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	501.91175
ΔH_f, kcal/mol:	35.14
Dipole, Da:	4.48
IP(EA), eV:	-9.22(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-chlorophenoxy)methyl]-5-[(4-bromo-2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=NN=C(O2)COC3=C(C=C(C=C3)Br)Cl

DOS

IR

Vibrations