Geometry & MOs

Info

ID:

325358

PubChem CID:

126682894

Reduced:

N3H25C38 (1)

Stoich.:

A3B25C38 (1)

Weight, g/mol:

524.200097

ΔHf, kcal/mol:

186.97

Dipole, Da:

5.4

IP(EA), eV:

 -8.02(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-5,8-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(=C2)N3C4=CC=CC=C4C5=CC(=NC6=C5C3=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations