Geometry & MOs

Info

ID:	89028
PubChem CID:	49958803
Reduced:	BrIN2O3H12C16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	469.91269
ΔH_f, kcal/mol:	8.71
Dipole, Da:	4.89
IP(EA), eV:	-9.2(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN=C(O2)COC3=CC=C(C=C3)Br)I

DOS

IR

Vibrations