Geometry & MOs

Info

ID:	3067
PubChem CID:	9111
Reduced:	H7C12 (2)
Stoich.:	A7B12 (2)
Weight, g/mol:	302.10955
ΔH_f, kcal/mol:	93.04
Dipole, Da:	0.02
IP(EA), eV:	-8.17(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[14.6.2.02,11.05,10.013,23.020,24]tetracosa-1(23),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=C6C4=C3C=CC6=CC=C5

DOS

IR

Vibrations