Geometry & MOs

Info

ID:

325329

PubChem CID:

126682760

Reduced:

N5H23C36 (1)

Stoich.:

A5B23C36 (1)

Weight, g/mol:

600.231397

ΔHf, kcal/mol:

210.33

Dipole, Da:

4.83

IP(EA), eV:

 -8.39(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[3-(4,6-diphenylpyridin-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=CC(=NC(=N2)C3=CC=CC=C3)N4C5=CC=CC=C5C6=NC(=NC7=C6C4=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations