Geometry & MOs

Info

ID:	389746
PubChem CID:	134994974
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	309.93469
ΔH_f, kcal/mol:	-17.31
Dipole, Da:	4.26
IP(EA), eV:	-10.44(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-iodo-1,2-bis(methylsulfanyl)cyclohepta-1,3,5-triene

Drug info:

PubChemData

Smile

CCCCC#CC#CC(=O)OCC

DOS

IR

Vibrations