Geometry & MOs

Info

ID:	237191
PubChem CID:	92717813
Reduced:	OSN2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	136.088815
ΔH_f, kcal/mol:	-10.95
Dipole, Da:	4.8
IP(EA), eV:	-8.89(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R)-5-methylbicyclo[2.2.2]oct-5-en-2-one

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)NC(=O)[C@@H](C)SC2=CC=CC=N2

DOS

IR

Vibrations