Geometry & MOs

Info

ID:	129908
PubChem CID:	51074243
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-113.94
Dipole, Da:	3.12
IP(EA), eV:	-8.68(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-thiophen-2-ylpyrrolidin-1-yl)propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)OCC(CN2CCN(CC2)C(=O)C3CC3)O)C

DOS

IR

Vibrations