Geometry & MOs

Info

ID:	143740
PubChem CID:	53253234
Reduced:	FN7C21H24 (1)
Stoich.:	AB7C21D24 (1)
Weight, g/mol:	369.171336
ΔH_f, kcal/mol:	58.52
Dipole, Da:	7.46
IP(EA), eV:	-9.03(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(CN1CCC[C@@H](C1)NC2=NC(=NC=C2)C3=CN=C4N3C=C(C=C4)F)C#N

DOS

IR

Vibrations