Geometry & MOs

Info

ID:	275349
PubChem CID:	103815364
Reduced:	NO3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	277.134779
ΔH_f, kcal/mol:	-167.71
Dipole, Da:	6.45
IP(EA), eV:	-8.87(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)CCCCCCO)CC(=O)O

DOS

IR

Vibrations