Geometry & MOs

Info

ID:

325366

PubChem CID:

126682930

Reduced:

N2H13C20 (2)

Stoich.:

A2B13C20 (2)

Weight, g/mol:

524.200097

ΔHf, kcal/mol:

209.09

Dipole, Da:

6.56

IP(EA), eV:

 -7.76(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4,6-diphenylpyrimidin-2-yl)-8-phenyl-8,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C4C(=C2)C=CC=C4N(C5=C3N=CC=C5)C6=CC=CC(=C6)C7=NC8=CC=CC=C8N7C9=CC=CC=C9

DOS

IR

Vibrations