Geometry & MOs

Info

ID:

377225

PubChem CID:

134223269

Reduced:

ON4H30C49 (1)

Stoich.:

AB4C30D49 (1)

Weight, g/mol:

687.242296

ΔHf, kcal/mol:

231.9

Dipole, Da:

2.07

IP(EA), eV:

 -7.54(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8,15-diazaheptacyclo[20.3.1.02,7.08,25.09,14.015,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,16,18(23),19,21,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC4=C3C=CC=C4C5=CC6=C(C=C5)C7=C(O6)C8=C9C(=CC=CC9=C7)C=CN8C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations