Geometry & MOs

Info

ID:

329326

PubChem CID:

126734754

Reduced:

N4H17C31 (2)

Stoich.:

A4B17C31 (2)

Weight, g/mol:

713.232794

ΔHf, kcal/mol:

407.66

Dipole, Da:

11.48

IP(EA), eV:

 -8.59(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[9-[3-cyano-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole-3,6-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C2=NC(=NC(=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)N6C7=C(C=C(C=C7)N8C9=C(C=C(C=C9)C#N)C1=C8C=CC(=C1)C#N)C1=CC=CC=C16)C1=CC=CC=C1C#N

DOS

IR

Vibrations