Geometry & MOs

Info

ID:	22349
PubChem CID:	596861
Reduced:	IH6C7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	433.90284
ΔH_f, kcal/mol:	102.28
Dipole, Da:	0.79
IP(EA), eV:	-9.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-6-(6-iodocyclohepta-1,3,5-trien-1-yl)cyclohepta-1,3,5-triene

Drug info:

PubChemData

Smile

C1C(=CC=CC=C1I)C2=CC=CC=C(C2)I

DOS

IR

Vibrations