Geometry & MOs

Info

ID:

428137

PubChem CID:

135166190

Reduced:

N5H31C49 (1)

Stoich.:

A5B31C49 (1)

Weight, g/mol:

791.304896

ΔHf, kcal/mol:

270.48

Dipole, Da:

4.78

IP(EA), eV:

 -8.04(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3,5-diphenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=CC=CC=C7N6C8=NC9=CC=CC=C9C(=N8)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations