Geometry & MOs

Info

ID:

325339

PubChem CID:

126682822

Reduced:

N5H23C36 (1)

Stoich.:

A5B23C36 (1)

Weight, g/mol:

526.190595

ΔHf, kcal/mol:

212.93

Dipole, Da:

7.2

IP(EA), eV:

 -8.37(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-4,6,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=NC5=C6C(=CC=C5)N(C7=CC=CC=C7C6=N4)C8=CC=CC=C8

DOS

IR

Vibrations