Geometry & MOs

Info

ID:	284491
PubChem CID:	104050614
Reduced:	SN2O2C14H24 (1)
Stoich.:	AB2C2D14E24 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-91.92
Dipole, Da:	2.66
IP(EA), eV:	-8.36(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CCCN(CC)C1=NC(=CS1)C(C)(C)C(=O)OCC

DOS

IR

Vibrations