Geometry & MOs

Info

ID:	89102
PubChem CID:	49959391
Reduced:	Cl2N3O5H15C18 (1)
Stoich.:	A2B3C5D15E18 (1)
Weight, g/mol:	487.95553
ΔH_f, kcal/mol:	-43.29
Dipole, Da:	7.36
IP(EA), eV:	-9.16(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,4-dichlorophenoxy)propyl]-5-(3-iodo-4-methylphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])OCC2=NN=C(O2)CCCOC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations