Geometry & MOs

Info

ID:	89009
PubChem CID:	49958721
Reduced:	BrCl2N2O3H11C16 (1)
Stoich.:	AB2C2D3E11F16 (1)
Weight, g/mol:	364.997011
ΔH_f, kcal/mol:	-16.18
Dipole, Da:	2.25
IP(EA), eV:	-9.32(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl)Br

DOS

IR

Vibrations