Geometry & MOs

Info

ID:	442850
PubChem CID:	135256618
Reduced:	FN3C20H22 (1)
Stoich.:	AB3C20D22 (1)
Weight, g/mol:	520.188383
ΔH_f, kcal/mol:	23.5
Dipole, Da:	2.2
IP(EA), eV:	-8.5(-0.39)
Spin(S_z, 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-(6-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC3=C(C(=CN3CCN4CC(C4)F)C)N=C2

DOS

IR

Vibrations