Geometry & MOs

Info

ID:	166930
PubChem CID:	74756916
Reduced:	BrNC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	293.186518
ΔH_f, kcal/mol:	23.25
Dipole, Da:	6.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.015236
Charge, e:	1

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-2-(2-methylpiperidin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CC2=CC=C(C=C2)Br

DOS

IR

Vibrations