Geometry & MOs

Info

ID:

440061

PubChem CID:

135229946

Reduced:

NOH57C89 (1)

Stoich.:

ABC57D89 (1)

Weight, g/mol:

1065.397065

ΔHf, kcal/mol:

346.34

Dipole, Da:

1.63

IP(EA), eV:

 -8.26(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

Drug info:

PubChemData

Smile

C1CC(=CC=C1)C2(C3=C(C=C(C=C3)N(C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC3=CC=CC=C31)C1=CC3=C(C=C1)C1=CC=CC=C1C31C3=CC=CC=C3C3=CC=CC=C13)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations