Geometry & MOs

Info

ID:	249554
PubChem CID:	103090429
Reduced:	NSO2C9H19 (1)
Stoich.:	ABC2D9E19 (1)
Weight, g/mol:	245.14495
ΔH_f, kcal/mol:	-105.57
Dipole, Da:	6.11
IP(EA), eV:	-8.71(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methylsulfanylbutyl)piperidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)N(C)CCCCSC

DOS

IR

Vibrations