Geometry & MOs

Info

ID:

442501

PubChem CID:

135252491

Reduced:

N6H42C61 (1)

Stoich.:

A6B42C61 (1)

Weight, g/mol:

857.351846

ΔHf, kcal/mol:

324.86

Dipole, Da:

6.42

IP(EA), eV:

 -7.94(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-quinazolin-2-ylphenyl)carbazol-3-yl]aniline

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=CN=C2C=NN=CC2=C1

DOS

IR

Vibrations