Geometry & MOs

Info

ID:	3111
PubChem CID:	9168
Reduced:	H8C13 (2)
Stoich.:	A8B13 (2)
Weight, g/mol:	328.125201
ΔH_f, kcal/mol:	300.11
Dipole, Da:	2.45
IP(EA), eV:	-8.27(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=C4C=CC6=CC=CC=C65

DOS

IR

Vibrations