Geometry & MOs

Info

ID:	249564
PubChem CID:	103090494
Reduced:	NSO2C14H27 (1)
Stoich.:	ABC2D14E27 (1)
Weight, g/mol:	245.14495
ΔH_f, kcal/mol:	-122.69
Dipole, Da:	3.71
IP(EA), eV:	-8.47(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-methylsulfanylbutyl)pyrrolidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)C1CCCN(C1)CCCCSC

DOS

IR

Vibrations