Geometry & MOs

Info

ID:	3079
PubChem CID:	9129
Reduced:	H7C12 (2)
Stoich.:	A7B12 (2)
Weight, g/mol:	302.10955
ΔH_f, kcal/mol:	91.99
Dipole, Da:	0.07
IP(EA), eV:	-8.44(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1(22),2,4,6,8,10,12,14,16(24),17,19(23),20-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C4=CC=CC5=C4C6=C(C=CC=C6C3=CC2=C1)C=C5

DOS

IR

Vibrations