Geometry & MOs

Info

ID:

442855

PubChem CID:

135256623

Reduced:

ON9H25C28 (1)

Stoich.:

AB9C25D28 (1)

Weight, g/mol:

520.188383

ΔHf, kcal/mol:

157.33

Dipole, Da:

3.08

IP(EA), eV:

 -8.34(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[[6-(5-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=C(C=C2)C(=O)NCC3=CN=C(C=C3)C4=CC=CC=C4)NC5=C/C(=C\NC)/N=N5

DOS

IR

Vibrations