Geometry & MOs

Info

ID:	88995
PubChem CID:	49958606
Reduced:	BrClN2O3H14C20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	393.97198
ΔH_f, kcal/mol:	8.91
Dipole, Da:	3.84
IP(EA), eV:	-8.92(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)OCC3=NN=C(O3)COC4=C(C=C(C=C4)Cl)Br

DOS

IR

Vibrations