Geometry & MOs

Info

ID:	311424
PubChem CID:	126592383
Reduced:	ClN4H19C30 (1)
Stoich.:	AB4C19D30 (1)
Weight, g/mol:	717.289246
ΔH_f, kcal/mol:	171.56
Dipole, Da:	2.35
IP(EA), eV:	-9.27(-1.35)
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-isoquinolin-4-ylphenyl]-7,7-dimethylindeno[2,1-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)C4=CN=CC5=CC=CC=C54)Cl)C6=CC=CC=C6

DOS

IR

Vibrations