Geometry & MOs

Info

ID:	140892
PubChem CID:	52778383
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	421.144958
ΔH_f, kcal/mol:	-90.23
Dipole, Da:	4.51
IP(EA), eV:	-9.01(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-N-[[(3R)-1-benzylpiperidin-1-ium-3-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide

Drug info:

PubChemData

Smile

COCCOC1=CC=CC(=C1)C(=O)NC[C@H]2CCCCN2CC3=CC=CC=C3

DOS

IR

Vibrations