Geometry & MOs

Info

ID:

325367

PubChem CID:

126682937

Reduced:

N4H24C37 (1)

Stoich.:

A4B24C37 (1)

Weight, g/mol:

524.200097

ΔHf, kcal/mol:

195.89

Dipole, Da:

3.39

IP(EA), eV:

 -8.0(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4,6-diphenylpyrimidin-2-yl)-8-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=CC4=NC=CC5=C4C(=C3)C6=CC=CC=C6N5C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations