Geometry & MOs

Info

ID:	442447
PubChem CID:	135252140
Reduced:	N5H29C45 (1)
Stoich.:	A5B29C45 (1)
Weight, g/mol:	715.273596
ΔH_f, kcal/mol:	267.86
Dipole, Da:	2.97
IP(EA), eV:	-7.81(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-5,6-diphenylindolo[2,3-b]indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC4=C3C(=CC=C4)N5C6=CC=CC=C6C7=C5N(C8=CC=CC=C87)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations