Geometry & MOs

Info

ID:	89032
PubChem CID:	49958812
Reduced:	BrIN2O3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	517.89882
ΔH_f, kcal/mol:	0.38
Dipole, Da:	5.16
IP(EA), eV:	-9.03(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations