Geometry & MOs

Info

ID:	137670
PubChem CID:	52242820
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	414.239282
ΔH_f, kcal/mol:	-24.49
Dipole, Da:	4.33
IP(EA), eV:	-8.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-ethoxy-N-[[6-[(2R)-2-methylmorpholin-4-yl]pyridin-1-ium-3-yl]methyl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCO1)C2=NC=C(C=C2)CNC(=O)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations