Geometry & MOs

Info

ID:	89002
PubChem CID:	49958631
Reduced:	BrClN2O3H12C16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	326.082205
ΔH_f, kcal/mol:	-9.29
Dipole, Da:	4.13
IP(EA), eV:	-9.27(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenoxy)methyl]-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations