Geometry & MOs

Info

ID:

428246

PubChem CID:

135166671

Reduced:

N2H42C61 (1)

Stoich.:

A2B42C61 (1)

Weight, g/mol:

892.345364

ΔHf, kcal/mol:

265.07

Dipole, Da:

1.6

IP(EA), eV:

 -7.93(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=CC=CC=C7N(C8=CC=CC=C68)C9=CC=CC=C9)C1=CC=CC=C1C1=CC=CC=C1C1=CC=CC=C1

DOS

IR

Vibrations