Geometry & MOs

Info

ID:	199299
PubChem CID:	79227094
Reduced:	OSC17H20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	230.076536
ΔH_f, kcal/mol:	-33.43
Dipole, Da:	4.57
IP(EA), eV:	-8.5(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC(=CC(=O)C1)CC2CSC3=CC=CC=C23)C

DOS

IR

Vibrations