Geometry & MOs

Info

ID:	199298
PubChem CID:	79227093
Reduced:	SN3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	272.123486
ΔH_f, kcal/mol:	66.54
Dipole, Da:	3.28
IP(EA), eV:	-8.45(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-5,5-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CNCC1=NN(C=C1)CC2CSC3=CC=CC=C23

DOS

IR

Vibrations