Geometry & MOs

Info

ID:	21326
PubChem CID:	587940
Reduced:	SC11H20 (1)
Stoich.:	AB11C20 (1)
Weight, g/mol:	184.128572
ΔH_f, kcal/mol:	-44.77
Dipole, Da:	2.43
IP(EA), eV:	-8.44(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophene

Drug info:

PubChemData

Smile

CCCC1CC2CCCCC2S1

DOS

IR

Vibrations