Geometry & MOs

Info

ID:

325356

PubChem CID:

126682884

Reduced:

N2H32C51 (1)

Stoich.:

A2B32C51 (1)

Weight, g/mol:

523.204848

ΔHf, kcal/mol:

220.06

Dipole, Da:

3.39

IP(EA), eV:

 -7.87(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(4,6-diphenylpyridin-2-yl)-15-phenyl-8,16-diazatetracyclo[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=CN=CC4=C3C(=C2)C5=CC=CC=C5N4C6=CC=CC(=C6)C7=CC(=CC=C7)C8=CC9=C(C=C8)C1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations