Geometry & MOs

Info

ID:	264745
PubChem CID:	103487716
Reduced:	NO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	310.171499
ΔH_f, kcal/mol:	-123.24
Dipole, Da:	1.73
IP(EA), eV:	-8.84(1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-(3,3-diethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate

Drug info:

PubChemData

Smile

CCNC1CCCCC1OC(C)COCC

DOS

IR

Vibrations