Geometry & MOs

Info

ID:	89298
PubChem CID:	49960343
Reduced:	BrCl2N2O3C21H21 (1)
Stoich.:	AB2C2D3E21F21 (1)
Weight, g/mol:	418.00837
ΔH_f, kcal/mol:	-51.53
Dipole, Da:	2.42
IP(EA), eV:	-9.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-ethylphenoxy)methyl]-5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OCC2=NN=C(O2)CCCOC3=C(C=C(C=C3)Cl)Cl)Br

DOS

IR

Vibrations