Geometry & MOs

Info

ID:

233187

PubChem CID:

87692930

Reduced:

OH36C64 (1)

Stoich.:

AB36C64 (1)

Weight, g/mol:

920.307916

ΔHf, kcal/mol:

340.46

Dipole, Da:

1.6

IP(EA), eV:

 -8.4(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,8-bis(12-heptacyclo[16.12.0.02,15.05,14.06,11.019,28.022,27]triaconta-1(18),2(15),3,5(14),6,8,10,12,16,19(28),20,22,24,26,29-pentadecaenyl)dibenzofuran

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=C4C=C(C6=CC=CC=C56)C7=CC8=C(C=C7)OC9=C8C=C(C=C9)C1=CC2=C(C=CC3=C2C=CC2=C3C=CC3=CC=CC=C32)C2=CC=CC=C21

DOS

IR

Vibrations