Geometry & MOs

Info

ID:

233186

PubChem CID:

87692920

Reduced:

OH28C48 (1)

Stoich.:

AB28C48 (1)

Weight, g/mol:

820.276616

ΔHf, kcal/mol:

162.19

Dipole, Da:

1.08

IP(EA), eV:

 -8.51(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,8-bis(4-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-tridecaenyl)dibenzofuran

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)C5=CC6=C(C=C5)OC7=C6C=C(C=C7)C8=CC9=C(C=CC1=CC=CC=C19)C1=CC=CC=C18

DOS

IR

Vibrations