Geometry & MOs

Info

ID:	3062
PubChem CID:	9103
Reduced:	H7C13 (2)
Stoich.:	A7B13 (2)
Weight, g/mol:	326.10955
ΔH_f, kcal/mol:	101.21
Dipole, Da:	0.0
IP(EA), eV:	-7.87(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4,6,8,10,13(23),14,16,18,20(24),21,25-tridecaene

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C=CC4=C3C(=C5C=CC6=C7C5=C4C=CC7=CC=C6)C=C2

DOS

IR

Vibrations