Geometry & MOs

Info

ID:

325332

PubChem CID:

126682781

Reduced:

N6H26C41 (1)

Stoich.:

A6B26C41 (1)

Weight, g/mol:

600.231397

ΔHf, kcal/mol:

243.79

Dipole, Da:

4.32

IP(EA), eV:

 -8.43(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-(4,6-diphenylpyridin-2-yl)phenyl]-15-phenyl-3,5,8-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)N=CN=C4N(C5=CC=CC=C53)C6=CC=CC(=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations