Geometry & MOs

Info

ID:

439938

PubChem CID:

135229794

Reduced:

ON2H52C81 (1)

Stoich.:

AB2C52D81 (1)

Weight, g/mol:

1019.412715

ΔHf, kcal/mol:

310.56

Dipole, Da:

1.05

IP(EA), eV:

 -7.87(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,5-diphenylphenyl)-9,9-dimethyl-N-[3-(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)phenyl]fluoren-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7)C8=CC=CC(=C8)C9=CC=C(C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12

DOS

IR

Vibrations