Geometry & MOs

Info

ID:	79
PubChem CID:	2087
Reduced:	Cl3H4C6 (2)
Stoich.:	A3B4C6 (2)
Weight, g/mol:	363.872766
ΔH_f, kcal/mol:	37.3
Dipole, Da:	3.33
IP(EA), eV:	-9.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene

Drug info:

PubChemData

Smile

C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl

DOS

IR

Vibrations