Geometry & MOs

Info

ID:	21747
PubChem CID:	589747
Reduced:	SH6C9 (1)
Stoich.:	AB6C9 (1)
Weight, g/mol:	146.019021
ΔH_f, kcal/mol:	124.49
Dipole, Da:	1.56
IP(EA), eV:	-8.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-penta-1,3-diynylthiophene

Drug info:

PubChemData

Smile

CC#CC#CC1=CC=CS1

DOS

IR

Vibrations