Geometry & MOs

Info

ID:	79476
PubChem CID:	49759521
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-127.16
Dipole, Da:	2.37
IP(EA), eV:	-9.22(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1CN2CCC1CC2

DOS

IR

Vibrations