Geometry & MOs

Info

ID:	201955
PubChem CID:	79607638
Reduced:	NCl2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	279.077658
ΔH_f, kcal/mol:	-10.89
Dipole, Da:	3.83
IP(EA), eV:	-8.99(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)CNCCC=C(C)C1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations