Geometry & MOs

Info

ID:	163599
PubChem CID:	58097296
Reduced:	BrOSN3C14H14 (1)
Stoich.:	ABCD3E14F14 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	48.03
Dipole, Da:	2.46
IP(EA), eV:	-8.67(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=N/NC2=NC=C(C=C2)Br)SCCO

DOS

IR

Vibrations