Geometry & MOs

Info

ID:	23147
PubChem CID:	602432
Reduced:	O3Cl6H6C10 (1)
Stoich.:	A3B6C6D10 (1)
Weight, g/mol:	385.84186
ΔH_f, kcal/mol:	-111.45
Dipole, Da:	6.59
IP(EA), eV:	-10.01(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6,7,8,9,13-hexachloro-10,11,12-trioxatetracyclo[7.2.1.12,5.03,8]tridec-6-ene

Drug info:

PubChemData

Smile

C1C2C(C3C1C(C(=C2Cl)Cl)(C4(OC3(OO4)Cl)Cl)Cl)Cl

DOS

IR

Vibrations