Geometry & MOs

Info

ID:	265698
PubChem CID:	103540149
Reduced:	O2N3C12H27 (1)
Stoich.:	A2B3C12D27 (1)
Weight, g/mol:	256.088164
ΔH_f, kcal/mol:	-81.64
Dipole, Da:	2.18
IP(EA), eV:	-8.76(1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)CCNCCN1CC(C(C1)OC)OC

DOS

IR

Vibrations