Geometry & MOs

Info

ID:

379285

PubChem CID:

134357049

Reduced:

F3O3N6C20H21 (1)

Stoich.:

A3B3C6D20E21 (1)

Weight, g/mol:

396.190989

ΔHf, kcal/mol:

-207.83

Dipole, Da:

6.64

IP(EA), eV:

 -8.71(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1E,3Z)-1,4-diamino-4-(5-methylpyridin-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

CN1C(=O)C2=C(C1=O)N(CCC2)CC(=O)N/C(=C/C=C(/C3=CN=C(C=C3)C(F)(F)F)\N)/N

DOS

IR

Vibrations