Geometry & MOs

Info

ID:

429560

PubChem CID:

135169609

Reduced:

O2F3N6H15C23 (1)

Stoich.:

A2B3C6D15E23 (1)

Weight, g/mol:

655.200825

ΔHf, kcal/mol:

-65.48

Dipole, Da:

6.21

IP(EA), eV:

 -9.01(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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=CC(=CN=C1C2=NC=CO2)NC(=O)C3=C(N(N=C3)C4=CN=CC5=CC=CC=C54)C(F)(F)F

DOS

IR

Vibrations