Geometry & MOs

Info

ID:	208695
PubChem CID:	80568058
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	-72.54
Dipole, Da:	4.21
IP(EA), eV:	-8.71(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C1=NC(=CS1)C(=O)OCC)C(C)C

DOS

IR

Vibrations