Geometry & MOs

Info

ID:

429027

PubChem CID:

135168681

Reduced:

NH23C38 (2)

Stoich.:

AB23C38 (2)

Weight, g/mol:

986.366099

ΔHf, kcal/mol:

341.38

Dipole, Da:

1.96

IP(EA), eV:

 -7.92(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-naphthalen-1-yl-N-(6-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-2-yl)-9,9'-spirobi[fluorene]-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N(C3=CC4=C(C=C3)C=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations