Geometry & MOs

Info

ID:	21817
PubChem CID:	591541
Reduced:	ClH7C9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	300.047256
ΔH_f, kcal/mol:	65.2
Dipole, Da:	0.68
IP(EA), eV:	-9.22(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,11-dichloropentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3C1(C4(C3C5=CC=CC=C5C4)Cl)Cl

DOS

IR

Vibrations