Geometry & MOs

Info

ID:

325331

PubChem CID:

126682769

Reduced:

N4H28C43 (1)

Stoich.:

A4B28C43 (1)

Weight, g/mol:

602.221895

ΔHf, kcal/mol:

218.27

Dipole, Da:

4.13

IP(EA), eV:

 -8.14(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,10,12-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C4C(=C2)C=CC=C4N(C5=NC=NC=C35)C6=CC=CC(=C6)C7=CC(=CC(=N7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations