Geometry & MOs

Info

ID:

329324

PubChem CID:

126734736

Reduced:

N9H41C68 (1)

Stoich.:

A9B41C68 (1)

Weight, g/mol:

857.326694

ΔHf, kcal/mol:

447.33

Dipole, Da:

7.21

IP(EA), eV:

 -7.82(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-cyano-N-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC(=C(C(=C9)C#N)C1=NC(=NC(=C1)C1=CC=CC(=C1)C#N)C1=CC=CC(=C1)C#N)C#N

DOS

IR

Vibrations