Geometry & MOs

Info

ID:

310441

PubChem CID:

126580406

Reduced:

N2H17C27 (2)

Stoich.:

A2B17C27 (2)

Weight, g/mol:

739.273596

ΔHf, kcal/mol:

334.98

Dipole, Da:

5.02

IP(EA), eV:

 -8.24(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[3-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC(=CC=C3)N4C5=CC=CC=C5C6=CC7=C(C=C64)C(C8=CC=CC=C87)(C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC(=C1)C#N

DOS

IR

Vibrations