Geometry & MOs

Info

ID:	143781
PubChem CID:	53260773
Reduced:	OF4N6C20H20 (1)
Stoich.:	AB4C6D20E20 (1)
Weight, g/mol:	426.217952
ΔH_f, kcal/mol:	-173.53
Dipole, Da:	5.12
IP(EA), eV:	-9.15(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)CCC(F)(F)F)NC2=NC(=NC=C2)C3=CN=C4N3C=C(C=C4)F

DOS

IR

Vibrations