Geometry & MOs

Info

ID:	206876
PubChem CID:	80315822
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-79.78
Dipole, Da:	5.11
IP(EA), eV:	-9.21(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]oxypropanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CN2CCC(C2)(C)C(=O)O)C

DOS

IR

Vibrations