Geometry & MOs

Info

ID:	175077
PubChem CID:	75852173
Reduced:	ON2C24H30 (1)
Stoich.:	AB2C24D30 (1)
Weight, g/mol:	404.291317
ΔH_f, kcal/mol:	-10.04
Dipole, Da:	4.65
IP(EA), eV:	-9.03(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)CC3CC4CCC3C4

DOS

IR

Vibrations