Geometry & MOs

Info

ID:

429698

PubChem CID:

135169749

Reduced:

O2F3N3H16C17 (1)

Stoich.:

A2B3C3D16E17 (1)

Weight, g/mol:

731.232125

ΔHf, kcal/mol:

-179.33

Dipole, Da:

3.9

IP(EA), eV:

 -9.09(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

CCOC(=O)/C(=C/N)/C(=NC1=C(C=CC2=C1C=CC=N2)C)C(F)(F)F

DOS

IR

Vibrations