Geometry & MOs

Info

ID:	79475
PubChem CID:	49759520
Reduced:	NO4C17H29 (1)
Stoich.:	AB4C17D29 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-221.09
Dipole, Da:	1.1
IP(EA), eV:	-8.88(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxoacetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCCC2N1C(CCC2)CC(=O)OCC

DOS

IR

Vibrations