Geometry & MOs

Info

ID:

315587

PubChem CID:

126627998

Reduced:

N2H44C65 (1)

Stoich.:

A2B44C65 (1)

Weight, g/mol:

724.366267

ΔHf, kcal/mol:

284.92

Dipole, Da:

1.49

IP(EA), eV:

 -8.05(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[9-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]phenyl]-N,N-diphenylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N4C5=CC=CC=C5C6=C4C=C(C=C6)C7=CC=CC=C7C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC3=CC=CC=C31)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations