Geometry & MOs

Info

ID:

426933

PubChem CID:

135154597

Reduced:

ClFO2N5H29C38 (1)

Stoich.:

ABC2D5E29F38 (1)

Weight, g/mol:

765.39623

ΔHf, kcal/mol:

42.68

Dipole, Da:

3.07

IP(EA), eV:

 -9.4(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-hydroxy-1-[2-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]propan-1-one;6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-1,5-dimethylpyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)Cl)C(=O)C2=CC=CC(=C2)CN3C(=O)C(N=C3N)(C4=CC=C(C=C4)F)C5=CC=CC(=C5)C6=CC=CC(=C6)C#N

DOS

IR

Vibrations