Geometry & MOs

Info

ID:	88990
PubChem CID:	49958523
Reduced:	BrCl2N2O2H11C16 (1)
Stoich.:	AB2C2D2E11F16 (1)
Weight, g/mol:	429.91367
ΔH_f, kcal/mol:	7.48
Dipole, Da:	3.55
IP(EA), eV:	-9.1(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenyl)-5-(3-iodo-4-methylphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations