Geometry & MOs

Info

ID:	269557
PubChem CID:	103617952
Reduced:	BrN2O2F3C10H10 (1)
Stoich.:	AB2C2D3E10F10 (1)
Weight, g/mol:	241.092578
ΔH_f, kcal/mol:	-211.64
Dipole, Da:	3.17
IP(EA), eV:	-9.33(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)NC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations