Geometry & MOs

Info

ID:	89204
PubChem CID:	49959892
Reduced:	N2O5C18H18 (1)
Stoich.:	A2B5C18D18 (1)
Weight, g/mol:	422.01274
ΔH_f, kcal/mol:	-72.52
Dipole, Da:	4.54
IP(EA), eV:	-8.71(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-iodo-4-methylphenyl)-5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC2=NN=C(O2)COC3=CC=CC=C3OC

DOS

IR

Vibrations