Geometry & MOs

Info

ID:	311422
PubChem CID:	126592381
Reduced:	BrN2H23C36 (1)
Stoich.:	AB2C23D36 (1)
Weight, g/mol:	743.304896
ΔH_f, kcal/mol:	167.32
Dipole, Da:	2.37
IP(EA), eV:	-8.23(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(6-phenylpyridin-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C(C=CC=C42)C5=C(C=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)Br

DOS

IR

Vibrations