Geometry & MOs

Info

ID:	407686
PubChem CID:	135080437
Reduced:	OS2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	198.140851
ΔH_f, kcal/mol:	-62.26
Dipole, Da:	4.72
IP(EA), eV:	-8.24(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(cyclopenten-1-yl)ethynyl]-2-ethenylcyclohexene

Drug info:

PubChemData

Smile

CCCCCCC[C@@H]1SCCC[S@@]1=O

DOS

IR

Vibrations