Geometry & MOs

Info

ID:	298085
PubChem CID:	117647473
Reduced:	FON10C18H21 (1)
Stoich.:	ABC10D18E21 (1)
Weight, g/mol:	430.2241
ΔH_f, kcal/mol:	55.7
Dipole, Da:	3.46
IP(EA), eV:	-9.02(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-morpholin-4-ylpyrimidin-5-yl)amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC([C@H](C1)N)NC2=C(C=C(C(=N2)NC3=CN=C(N=C3)N4N=CC=N4)C(=O)N)F

DOS

IR

Vibrations