Geometry & MOs

Info

ID:

442502

PubChem CID:

135252492

Reduced:

N5H43C62 (1)

Stoich.:

A5B43C62 (1)

Weight, g/mol:

806.340947

ΔHf, kcal/mol:

302.97

Dipole, Da:

2.95

IP(EA), eV:

 -7.83(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]phenyl]carbazol-3-yl]-N,N-diphenylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=C(C=C1)C1=NC2=CC=CC=C2C=N1

DOS

IR

Vibrations