Geometry & MOs

Info

ID:

442915

PubChem CID:

135256868

Reduced:

ON10H20C26 (1)

Stoich.:

AB10C20D26 (1)

Weight, g/mol:

536.183298

ΔHf, kcal/mol:

175.19

Dipole, Da:

5.93

IP(EA), eV:

 -9.33(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(5-cyano-1,2,4-oxadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]ethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=C(C=C2)C(=O)NCC3=CN=C(C=C3)C4=CN=CC=C4)NC5=NNC(=C5)C#N

DOS

IR

Vibrations