Geometry & MOs

Info

ID:

329335

PubChem CID:

126734880

Reduced:

NH4C7 (8)

Stoich.:

AB4C7 (8)

Weight, g/mol:

816.274993

ΔHf, kcal/mol:

388.1

Dipole, Da:

2.99

IP(EA), eV:

 -7.86(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=C(C=C6)C7=C(C=C(C=C7C#N)C8=NC(=NC(=C8)C9=CC=CC(=C9)C#N)C1=CC=CC(=C1)C#N)C#N

DOS

IR

Vibrations