Geometry & MOs

Info

ID:	89100
PubChem CID:	49959384
Reduced:	N2Cl3O3H15C18 (1)
Stoich.:	A2B3C3D15E18 (1)
Weight, g/mol:	412.074533
ΔH_f, kcal/mol:	-43.16
Dipole, Da:	5.26
IP(EA), eV:	-9.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,4-dichlorophenoxy)propyl]-5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC2=NN=C(O2)CCCOC3=C(C=C(C=C3)Cl)Cl)Cl

DOS

IR

Vibrations