Geometry & MOs

Info

ID:

429024

PubChem CID:

135168678

Reduced:

NH25C41 (2)

Stoich.:

AB25C41 (2)

Weight, g/mol:

936.350449

ΔHf, kcal/mol:

359.97

Dipole, Da:

1.45

IP(EA), eV:

 -7.88(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-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=C2C3=CC=C(C=C3)N(C4=CC5=C(C=C4)C=C(C=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=CC=CC=C1N1C2=CC=CC=C2C2=C1C9=CC=C2)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations