Geometry & MOs

Info

ID:

429417

PubChem CID:

135169449

Reduced:

ON2H7C10F13 (1)

Stoich.:

AB2C7D10E13 (1)

Weight, g/mol:

655.200825

ΔHf, kcal/mol:

-688.94

Dipole, Da:

4.07

IP(EA), eV:

-10.28(-1.25)

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[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1C(OC(CN1/C(=C\F)/N(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations