Geometry & MOs

Info

ID:	89105
PubChem CID:	49959399
Reduced:	Cl2N2O3H14C17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	422.00328
ΔH_f, kcal/mol:	-24.34
Dipole, Da:	3.15
IP(EA), eV:	-8.98(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-3-methylphenoxy)methyl]-5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=COC(=C1)/C=C/C2=NN=C(O2)CCCOC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations