Geometry & MOs

Info

ID:

325361

PubChem CID:

126682916

Reduced:

N4H28C43 (1)

Stoich.:

A4B28C43 (1)

Weight, g/mol:

600.231397

ΔHf, kcal/mol:

219.55

Dipole, Da:

6.09

IP(EA), eV:

 -7.93(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC(=CC=C3)N4C5=CC=CC=C5C6=CC(=NC7=C6C4=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations