Geometry & MOs

Info

ID:	259226
PubChem CID:	103162176
Reduced:	NSO4C13H23 (1)
Stoich.:	ABC4D13E23 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-192.99
Dipole, Da:	5.83
IP(EA), eV:	-9.04(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclobutylacetyl)-4-methylpiperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)N[C@H](CCSC)C(=O)O

DOS

IR

Vibrations