Geometry & MOs

Info

ID:	294135
PubChem CID:	117427487
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-57.12
Dipole, Da:	3.8
IP(EA), eV:	-8.79(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

CONCC1=CC2=C(C=C1Cl)OCC3(CC3)CO2

DOS

IR

Vibrations