Geometry & MOs

Info

ID:	143782
PubChem CID:	53260774
Reduced:	FO2N6C22H27 (1)
Stoich.:	AB2C6D22E27 (1)
Weight, g/mol:	422.223038
ΔH_f, kcal/mol:	-64.65
Dipole, Da:	6.54
IP(EA), eV:	-8.97(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)N1CCCC(C1)NC2=NC(=NC=C2)C3=CN=C4N3C=C(C=C4)F)O

DOS

IR

Vibrations