Geometry & MOs

Info

ID:	240869
PubChem CID:	93617902
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-64.22
Dipole, Da:	2.91
IP(EA), eV:	-9.34(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC[C@@H]1CN(CCO1)C(=O)C2=C(N=CS2)C

DOS

IR

Vibrations