Geometry & MOs

Info

ID:

329019

PubChem CID:

126730518

Reduced:

NH6C10 (6)

Stoich.:

AB6C10 (6)

Weight, g/mol:

865.295394

ΔHf, kcal/mol:

349.93

Dipole, Da:

3.5

IP(EA), eV:

 -8.25(-1.55)

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-carbazol-9-ylcarbazol-9-yl)benzonitrile

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)C6=C(C=C(C=C6C#N)N7C8=C(C=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=CC=CC=C17)C#N

DOS

IR

Vibrations