Geometry & MOs

Info

ID:

428055

PubChem CID:

135165907

Reduced:

ON5H33C55 (1)

Stoich.:

AB5C33D55 (1)

Weight, g/mol:

841.320546

ΔHf, kcal/mol:

271.54

Dipole, Da:

2.05

IP(EA), eV:

 -8.13(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(3,5-diphenylphenyl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)N4C5=C(C6=C4C7=CC=CC=C7C=C6)C8=C(C=C5)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations