Geometry & MOs

Info

ID:	58418
PubChem CID:	24698321
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	242.072513
ΔH_f, kcal/mol:	10.58
Dipole, Da:	3.33
IP(EA), eV:	-8.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC=CC=C2C(=N)N)C

DOS

IR

Vibrations