Geometry & MOs

Info

ID:

439970

PubChem CID:

135229841

Reduced:

OH52C76 (1)

Stoich.:

AB52C76 (1)

Weight, g/mol:

1081.39198

ΔHf, kcal/mol:

237.29

Dipole, Da:

0.77

IP(EA), eV:

 -8.37(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C(CCC3=CC4=C(C=C3)C5=CC=CC=C5C46C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC2=CC=CC=C29)C2=CC3=C(C=C2)C2=CC=CC=C2C32C3=CC=CC=C3C3=CC=CC=C23)C2=CC=CC=C21)C

DOS

IR

Vibrations