Geometry & MOs

Info

ID:	3112
PubChem CID:	9169
Reduced:	H8C13 (2)
Stoich.:	A8B13 (2)
Weight, g/mol:	328.125201
ΔH_f, kcal/mol:	107.48
Dipole, Da:	0.06
IP(EA), eV:	-8.13(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C=CC5=CC6=CC=CC=C6C=C54

DOS

IR

Vibrations