Geometry & MOs

Info

ID:	89097
PubChem CID:	49959367
Reduced:	BrCl2N2O3H17C19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	406.085098
ΔH_f, kcal/mol:	-47.74
Dipole, Da:	2.98
IP(EA), eV:	-8.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,4-dichlorophenoxy)propyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)CCCOC3=C(C=C(C=C3)Cl)Cl)Br

DOS

IR

Vibrations