Geometry & MOs

Info

ID:	3065
PubChem CID:	9106
Reduced:	H7C12 (2)
Stoich.:	A7B12 (2)
Weight, g/mol:	302.10955
ΔH_f, kcal/mol:	94.38
Dipole, Da:	0.03
IP(EA), eV:	-8.14(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18,20(24),21-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC6=CC=CC=C6C(=C54)C=C3

DOS

IR

Vibrations