Geometry & MOs

Info

ID:

379284

PubChem CID:

134357042

Reduced:

F3O3N4C20H21 (1)

Stoich.:

A3B3C4D20E21 (1)

Weight, g/mol:

450.162723

ΔHf, kcal/mol:

-200.44

Dipole, Da:

4.48

IP(EA), eV:

 -8.37(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1E,3Z)-1,4-diamino-4-[6-(trifluoromethyl)pyridin-3-yl]buta-1,3-dienyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(=C(N(C1)CC(=O)N/C(=C/C=C(/C2=CC(=CC=C2)C(F)(F)F)\N)/N)C=O)C=O

DOS

IR

Vibrations