Geometry & MOs

Info

ID:	89054
PubChem CID:	49959016
Reduced:	Cl2N2O3H18C22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	438.05791
ΔH_f, kcal/mol:	-22.92
Dipole, Da:	3.38
IP(EA), eV:	-8.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)OCC3=NN=C(O3)CCCOC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations