Geometry & MOs

Info

ID:

428709

PubChem CID:

135168003

Reduced:

NH23C39 (2)

Stoich.:

AB23C39 (2)

Weight, g/mol:

960.350449

ΔHf, kcal/mol:

343.79

Dipole, Da:

1.19

IP(EA), eV:

 -7.92(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-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=C2C(=C1)C=CC3=C2C4=C(C35C6=CC=CC=C6C7=CC=CC=C57)C=C(C=C4)N(C8=CC9=C(C=C8)C1=CC=CC=C1C1=CC=CC=C19)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations