Geometry & MOs

Info

ID:	5866
PubChem CID:	13930
Reduced:	OH5Cl7C10 (1)
Stoich.:	AB5C7D10 (1)
Weight, g/mol:	387.813059
ΔH_f, kcal/mol:	8.64
Dipole, Da:	4.04
IP(EA), eV:	-10.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene

Drug info:

PubChemData

Smile

C12C(C(C3C1O3)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl

DOS

IR

Vibrations