Geometry & MOs

Info

ID:

429717

PubChem CID:

135169768

Reduced:

F3N4H11C14 (1)

Stoich.:

A3B4C11D14 (1)

Weight, g/mol:

717.252861

ΔHf, kcal/mol:

-41.24

Dipole, Da:

4.73

IP(EA), eV:

 -8.83(-1.45)

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[10.8.0.02,10.05,9.013,18]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=NN=CC2=CC=CC=C21)C(F)(F)F

DOS

IR

Vibrations