Geometry & MOs

Info

ID:

325368

PubChem CID:

126682940

Reduced:

N4H24C37 (1)

Stoich.:

A4B24C37 (1)

Weight, g/mol:

524.200097

ΔHf, kcal/mol:

197.54

Dipole, Da:

2.19

IP(EA), eV:

 -7.82(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4,6-diphenylpyrimidin-2-yl)-8-phenyl-4,8-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=C5C(=C3)C=CC=C5N(C6=C4C=CC=N6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations