Geometry & MOs

Info

ID:

439920

PubChem CID:

135229776

Reduced:

NOH57C89 (1)

Stoich.:

ABC57D89 (1)

Weight, g/mol:

1153.428365

ΔHf, kcal/mol:

348.78

Dipole, Da:

1.24

IP(EA), eV:

 -7.96(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-4-yl)-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

C1C(C=CC2=C1C3(C4=C(C5=CC=CC=C5C=C4)OC6=C3C=CC7=CC=CC=C76)C8=CC=CC=C28)C9=CC=C(C=C9)N(C1=CC2=C(C=C1)C(C1=CC=CC=C12)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations