Geometry & MOs

Info

ID:

329315

PubChem CID:

126734551

Reduced:

N9H37C68 (1)

Stoich.:

A9B37C68 (1)

Weight, g/mol:

828.300145

ΔHf, kcal/mol:

453.66

Dipole, Da:

3.37

IP(EA), eV:

 -8.12(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C2=NC(=NC(=C2)C3=CC=C(C=C3)C4=C(C=C(C(=C4)C#N)N5C6=C(C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=C5C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21)C#N)C1=CC=CC=C1C#N

DOS

IR

Vibrations