Geometry & MOs

Info

ID:

429036

PubChem CID:

135168690

Reduced:

NH25C39 (2)

Stoich.:

AB25C39 (2)

Weight, g/mol:

1014.3974

ΔHf, kcal/mol:

340.28

Dipole, Da:

1.47

IP(EA), eV:

 -7.95(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-diphenyl-N-(3-phenylphenyl)-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)fluoren-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N(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=CC2=C(C=C1)C1=CC=CC=C1C2(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations