Geometry & MOs

Info

ID:	259217
PubChem CID:	103162141
Reduced:	NSO3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	283.178358
ΔH_f, kcal/mol:	-132.6
Dipole, Da:	6.38
IP(EA), eV:	-9.06(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-ethoxycyclobutyl)acetyl]-2-methylpiperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)N2CCSCC2C(=O)O

DOS

IR

Vibrations