Geometry & MOs

Info

ID:	248659
PubChem CID:	103083360
Reduced:	BrION3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	335.06332
ΔH_f, kcal/mol:	83.82
Dipole, Da:	4.48
IP(EA), eV:	-8.94(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)C3=C(C=CC(=C3)I)N

DOS

IR

Vibrations