Geometry & MOs

Info

ID:

395673

PubChem CID:

135026229

Reduced:

O3H14C19 (2)

Stoich.:

A3B14C19 (2)

Weight, g/mol:

588.20893

ΔHf, kcal/mol:

-60.26

Dipole, Da:

1.23

IP(EA), eV:

 -8.75(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-1,4-bis(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)but-2-ene-1,4-dione

Drug info:

PubChemData

Smile

COC1=C2[C@H]3C4=CC=CC=C4C(C2=C(C=C1)OC)C5=C3C(=O)C6=C(C5=O)C7C8=CC=CC=C8[C@@H]6C9=C(C=CC(=C79)OC)OC

DOS

IR

Vibrations