Geometry & MOs

Info

ID:

428107

PubChem CID:

135166110

Reduced:

ON5H33C55 (1)

Stoich.:

AB5C33D55 (1)

Weight, g/mol:

791.304896

ΔHf, kcal/mol:

266.35

Dipole, Da:

4.22

IP(EA), eV:

 -7.89(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(3,5-diphenylphenyl)-14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)N(C7=CC=CC=C76)C8=NC9=CC=CC=C9C(=N8)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC=CC=C1

DOS

IR

Vibrations