Geometry & MOs

Info

ID:

449277

PubChem CID:

135297323

Reduced:

N5H31C51 (1)

Stoich.:

A5B31C51 (1)

Weight, g/mol:

763.273596

ΔHf, kcal/mol:

284.75

Dipole, Da:

1.14

IP(EA), eV:

 -8.16(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=CC=CC=C5C6=C4C7=C(C=C6)C8=CC=CC=C8N9C1=CC=CC=C1C1=C9C7=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations