Geometry & MOs

Info

ID:

429691

PubChem CID:

135169742

Reduced:

ClOF3N9H17C24 (1)

Stoich.:

ABC3D9E17F24 (1)

Weight, g/mol:

655.200825

ΔHf, kcal/mol:

-3.27

Dipole, Da:

7.36

IP(EA), eV:

 -8.46(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-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

C1=CC2=C(C=CC=N2)C(=C1)N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)N(C5=C(C=NC=C5)N)N)Cl)C(F)(F)F

DOS

IR

Vibrations