Geometry & MOs

Info

ID:	199263
PubChem CID:	79224129
Reduced:	OSC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-50.32
Dipole, Da:	1.56
IP(EA), eV:	-8.33(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine-2,5-dione

Drug info:

PubChemData

Smile

CC(CCC1CC2=CC=CC=C2S1)CO

DOS

IR

Vibrations