Geometry & MOs

Info

ID:	141544
PubChem CID:	52892421
Reduced:	NO3C8H10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	350.196748
ΔH_f, kcal/mol:	-161.04
Dipole, Da:	4.41
IP(EA), eV:	-8.88(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3S)-1-ethylpiperidin-1-ium-3-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations