Geometry & MOs

Info

ID:

329300

PubChem CID:

126734391

Reduced:

N3H17C27 (2)

Stoich.:

A3B17C27 (2)

Weight, g/mol:

892.306293

ΔHf, kcal/mol:

316.99

Dipole, Da:

7.87

IP(EA), eV:

 -8.35(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]benzene-1,4-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)N6C7=C(C=C(C=C7)N(C8=CC=C(C=C8)C#N)C9=CC=C(C=C9)C#N)C1=CC=CC=C16

DOS

IR

Vibrations