Geometry & MOs

Info

ID:

325359

PubChem CID:

126682907

Reduced:

N4H24C37 (1)

Stoich.:

A4B24C37 (1)

Weight, g/mol:

525.195346

ΔHf, kcal/mol:

204.48

Dipole, Da:

3.4

IP(EA), eV:

 -7.91(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C4C(=C2)C=CC=C4N(C5=C3C=CN=C5)C6=NC(=CC(=N6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations