Geometry & MOs

Info

ID:	143780
PubChem CID:	53260772
Reduced:	O2N6H26C27 (1)
Stoich.:	A2B6C26D27 (1)
Weight, g/mol:	436.163472
ΔH_f, kcal/mol:	31.11
Dipole, Da:	5.82
IP(EA), eV:	-8.65(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(C=C2)CC3=CC4=C(C5=C3N=CC=C5)N=CN(C4=O)[C@H]6CCCC[C@@H]6O

DOS

IR

Vibrations