Geometry & MOs

Info

ID:	249556
PubChem CID:	103090431
Reduced:	NSO2C10H19 (1)
Stoich.:	ABC2D10E19 (1)
Weight, g/mol:	261.139865
ΔH_f, kcal/mol:	-83.74
Dipole, Da:	4.69
IP(EA), eV:	-8.7(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methylsulfanylbutyl)piperidin-4-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CSCCCCNC(C1CC1)C(=O)O

DOS

IR

Vibrations