Geometry & MOs

Info

ID:	6815
PubChem CID:	70153
Reduced:	SC12H20 (1)
Stoich.:	AB12C20 (1)
Weight, g/mol:	196.128572
ΔH_f, kcal/mol:	-12.73
Dipole, Da:	1.08
IP(EA), eV:	-8.97(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-octylthiophene

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=CS1

DOS

IR

Vibrations