Geometry & MOs

Info

ID:

325334

PubChem CID:

126682784

Reduced:

N4H28C43 (1)

Stoich.:

A4B28C43 (1)

Weight, g/mol:

601.226646

ΔHf, kcal/mol:

217.46

Dipole, Da:

4.76

IP(EA), eV:

 -8.4(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C4C(=C2)N=CN=C4N(C5=CC=CC=C53)C6=CC=C(C=C6)C7=CC(=CC(=N7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations