Geometry & MOs

Info

ID:

378239

PubChem CID:

134224315

Reduced:

N4H36C53 (1)

Stoich.:

A4B36C53 (1)

Weight, g/mol:

677.257946

ΔHf, kcal/mol:

257.75

Dipole, Da:

2.13

IP(EA), eV:

 -8.31(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[4-[4-[(Z)-but-1-en-3-ynyl]-3-methylphenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C21

DOS

IR

Vibrations