Geometry & MOs

Info

ID:

439965

PubChem CID:

135229836

Reduced:

NOH45C70 (1)

Stoich.:

ABC45D70 (1)

Weight, g/mol:

1313.500134

ΔHf, kcal/mol:

264.27

Dipole, Da:

0.51

IP(EA), eV:

 -8.03(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-[3-(N-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]-4'-ylanilino)phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)C8(C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC3=CC=CC=C31)C1=CC=CC=C17)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations