Geometry & MOs

Info

ID:	211570
PubChem CID:	81044488
Reduced:	NO3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	271.1606
ΔH_f, kcal/mol:	-165.01
Dipole, Da:	4.4
IP(EA), eV:	-8.3(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(5-methylthiolan-3-yl)piperidin-3-yl]butanoic acid

Drug info:

PubChemData

Smile

CCC(COC)N1CCCC(C1)C(C)CC(=O)O

DOS

IR

Vibrations