Geometry & MOs

Info

ID:

429098

PubChem CID:

135168820

Reduced:

NH23C34 (2)

Stoich.:

AB23C34 (2)

Weight, g/mol:

1052.376664

ΔHf, kcal/mol:

298.03

Dipole, Da:

2.16

IP(EA), eV:

 -7.92(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C4(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=CC=CC=C2N(C2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations