Geometry & MOs

Info

ID:	329104
PubChem CID:	126731259
Reduced:	ClPF2N3O9C21H23 (1)
Stoich.:	ABC2D3E9F21G23 (1)
Weight, g/mol:	290.124212
ΔH_f, kcal/mol:	-483.87
Dipole, Da:	4.88
IP(EA), eV:	-9.47(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-(piperidin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one

Drug info:

PubChemData

Smile

CC(C)OP1(=O)OC[C@@H]2[C@@H](O1)C(C(O2)N3C=CC(=NC3=O)NC(=O)C4=CC(=C(C(=C4)OC)Cl)OC)(F)F

DOS

IR

Vibrations