Geometry & MOs

Info

ID:

428990

PubChem CID:

135168584

Reduced:

N2H50C81 (1)

Stoich.:

A2B50C81 (1)

Weight, g/mol:

1052.376664

ΔHf, kcal/mol:

363.31

Dipole, Da:

1.13

IP(EA), eV:

 -8.04(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC6=C(C=C5)C7(C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC2=C1N6C1=CC=CC=C21)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations