Geometry & MOs

Info

ID:

428392

PubChem CID:

135167186

Reduced:

N3H51C79 (1)

Stoich.:

A3B51C79 (1)

Weight, g/mol:

876.350449

ΔHf, kcal/mol:

462.03

Dipole, Da:

4.29

IP(EA), eV:

 -7.85(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=C(C=C9)C1=C2C3=CC=CC=C3C3(C2=CC=C1)C1=CC=CC=C1N1C2=CC=CC=C2C2=C1C3=CC=C2

DOS

IR

Vibrations