Geometry & MOs

Info

ID:	206875
PubChem CID:	80315457
Reduced:	SO2N3C13H21 (1)
Stoich.:	AB2C3D13E21 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-76.33
Dipole, Da:	2.85
IP(EA), eV:	-8.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1CNCCN1CC2=NC(=C(S2)C)C

DOS

IR

Vibrations