Geometry & MOs

Info

ID:	141542
PubChem CID:	52892419
Reduced:	NO3C8H10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	337.139961
ΔH_f, kcal/mol:	-161.75
Dipole, Da:	4.3
IP(EA), eV:	-8.95(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-O-[(3R)-1-ethylpiperidin-1-ium-3-yl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CCN1CCC[C@@H](C1)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations