Geometry & MOs

Info

ID:	3720
PubChem CID:	10066
Reduced:	Cl3H4C6 (2)
Stoich.:	A3B4C6 (2)
Weight, g/mol:	363.872766
ΔH_f, kcal/mol:	34.54
Dipole, Da:	3.73
IP(EA), eV:	-9.67(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,6S,7R,8S)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@H]1[C@H]3[C@@H]2[C@@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl

DOS

IR

Vibrations