Geometry & MOs

Info

ID:

316751

PubChem CID:

126631710

Reduced:

N4H27C40 (2)

Stoich.:

A4B27C40 (2)

Weight, g/mol:

1791.6696

ΔHf, kcal/mol:

427.09

Dipole, Da:

2.12

IP(EA), eV:

 -7.93(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N,4-N,6-N-triphenyl-2-N,4-N,6-N-tris[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=CC6=C(C=C5)C(=NN=C6N(C7=CC=CC=C7)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC=C1)N(C1=CC=CC=C1)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations