Geometry & MOs

Info

ID:

429467

PubChem CID:

135169516

Reduced:

ClF3N7H17C23 (1)

Stoich.:

AB3C7D17E23 (1)

Weight, g/mol:

717.252861

ΔHf, kcal/mol:

26.29

Dipole, Da:

3.09

IP(EA), eV:

 -8.61(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

C=C(/C(=C/N)/C(=NC1=CN=CC2=CC=CC=C21)C(F)(F)F)NC3=CC(=C(C=C3)N4N=CC=N4)Cl

DOS

IR

Vibrations