Geometry & MOs

Info

ID:	298083
PubChem CID:	117647471
Reduced:	FO2N9C20H24 (1)
Stoich.:	AB2C9D20E24 (1)
Weight, g/mol:	359.186987
ΔH_f, kcal/mol:	-13.47
Dipole, Da:	4.24
IP(EA), eV:	-8.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methylpyrimidin-5-yl)amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C(=O)N)F)NC3CCC[C@H]([C@@H]3N)O)N4N=CC=N4

DOS

IR

Vibrations