Geometry & MOs

Info

ID:	88915
PubChem CID:	49957694
Reduced:	Br2N2O3H16C22 (1)
Stoich.:	A2B2C3D16E22 (1)
Weight, g/mol:	354.113506
ΔH_f, kcal/mol:	30.39
Dipole, Da:	3.89
IP(EA), eV:	-9.11(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2OCC3=NN=C(O3)COC4=C(C=C(C=C4)Br)Br

DOS

IR

Vibrations