Geometry & MOs

Info

ID:	280573
PubChem CID:	103849938
Reduced:	BrClNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-73.72
Dipole, Da:	4.27
IP(EA), eV:	-9.69(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxypiperidin-1-yl)-[(2R)-oxolan-2-yl]methanone

Drug info:

PubChemData

Smile

CCN(CCO)C(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations