Geometry & MOs

Info

ID:

439765

PubChem CID:

135229585

Reduced:

NO2H51C82 (1)

Stoich.:

AB2C51D82 (1)

Weight, g/mol:

1153.428365

ΔHf, kcal/mol:

288.76

Dipole, Da:

1.54

IP(EA), eV:

 -8.01(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-4-yl)-N-(3-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(C3=C(C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)OC7=CC=CC=C76)C8=CC=C(C=C8)C9=CC1=C(C=C9)C3=CC=CC=C3C11C3=C(C4=CC=CC=C4C=C3)OC3=C1C=CC1=CC=CC=C13)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations