Geometry & MOs

Info

ID:

429109

PubChem CID:

135168896

Reduced:

NH22C36 (2)

Stoich.:

AB22C36 (2)

Weight, g/mol:

1064.41305

ΔHf, kcal/mol:

324.58

Dipole, Da:

0.77

IP(EA), eV:

 -8.05(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-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'-ylnaphthalen-1-yl)fluoren-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC3=C2C4=CC=CC=C4C35C6=CC=CC=C6C7=CC=CC=C57)C8=CC=C(C9=CC=CC=C98)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations