Geometry & MOs

Info

ID:

429499

PubChem CID:

135169548

Reduced:

ClO2F3N4H16C19 (1)

Stoich.:

AB2C3D4E16F19 (1)

Weight, g/mol:

717.252861

ΔHf, kcal/mol:

-153.88

Dipole, Da:

6.61

IP(EA), eV:

 -8.73(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-[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

CC1=C(C(=CC=C1)N2C(=C(C=N2)C(=O)NC3=CC(=C(N=C3)OC)Cl)C(F)(F)F)C

DOS

IR

Vibrations