Geometry & MOs

Info

ID:

439879

PubChem CID:

135229725

Reduced:

ON2H52C81 (1)

Stoich.:

AB2C52D81 (1)

Weight, g/mol:

1065.397065

ΔHf, kcal/mol:

311.07

Dipole, Da:

2.77

IP(EA), eV:

 -7.95(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,5-diphenylphenyl)-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC2=CC=CC=C21)C1=CC=C(C=C1)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations