Geometry & MOs

Info

ID:	140958
PubChem CID:	52789993
Reduced:	ClION2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	353.222903
ΔH_f, kcal/mol:	-32.72
Dipole, Da:	4.25
IP(EA), eV:	-8.57(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-phenoxy-N-[[(3R)-1-propan-2-ylpiperidin-1-ium-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)N1CCC[C@H](C1)CNC(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations