Geometry & MOs

Info

ID:	3080
PubChem CID:	9130
Reduced:	H4C7 (4)
Stoich.:	A4B7 (4)
Weight, g/mol:	352.125201
ΔH_f, kcal/mol:	111.84
Dipole, Da:	0.09
IP(EA), eV:	-8.2(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptacyclo[14.10.2.02,15.04,13.06,11.020,28.023,27]octacosa-1(26),2,4,6,8,10,12,14,16,18,20(28),21,23(27),24-tetradecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C=C4C5=CC=CC6=C5C7=C(C=CC=C7C4=CC3=CC2=C1)C=C6

DOS

IR

Vibrations