Geometry & MOs

Info

ID:

428736

PubChem CID:

135168050

Reduced:

N2H52C81 (1)

Stoich.:

A2B52C81 (1)

Weight, g/mol:

1101.408299

ΔHf, kcal/mol:

362.83

Dipole, Da:

0.71

IP(EA), eV:

 -8.03(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[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'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=CC=CC2=C1C1=CC=CC=C1C2(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations