Geometry & MOs

Info

ID:	89184
PubChem CID:	49959807
Reduced:	ClN2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	346.131742
ΔH_f, kcal/mol:	-16.88
Dipole, Da:	3.32
IP(EA), eV:	-8.68(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylphenoxy)methyl]-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OCC2=NN=C(O2)COC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations