Geometry & MOs

Info

ID:

377210

PubChem CID:

134223251

Reduced:

N5H29C49 (1)

Stoich.:

A5B29C49 (1)

Weight, g/mol:

637.226646

ΔHf, kcal/mol:

271.53

Dipole, Da:

2.68

IP(EA), eV:

 -7.16(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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=CC=CC=C43)C5=CC6=C(C=C5)C7=CC8=CC=CC9=C8C1=C7N6C2=CC=CC=C2N1C=C9)C1=CC=CC=C1

DOS

IR

Vibrations