Geometry & MOs

Info

ID:	311415
PubChem CID:	126592096
Reduced:	ClN2C46H55 (1)
Stoich.:	AB2C46D55 (1)
Weight, g/mol:	728.293997
ΔH_f, kcal/mol:	81.75
Dipole, Da:	3.54
IP(EA), eV:	-7.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-carbazol-9-yl-5-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole

Drug info:

PubChemData

Smile

CCCCN=C(/C=C/C1=C(/C(=C/C=C/2\C(C3=C(N2CCCC)C=CC4=CC=CC=C43)(C)C)/CCC1)Cl)C(C)(C)C5=CC=CC6C5=CC=CC6

DOS

IR

Vibrations