Geometry & MOs

Info

ID:

428343

PubChem CID:

135167050

Reduced:

N2H46C71 (1)

Stoich.:

A2B46C71 (1)

Weight, g/mol:

1041.408299

ΔHf, kcal/mol:

312.66

Dipole, Da:

1.09

IP(EA), eV:

 -8.01(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(4-phenylphenyl)-N-(2-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]-2'-ylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC=CC6=CC=CC=C65)C7=CC=CC=C7C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations