Geometry & MOs

Info

ID:	214312
PubChem CID:	84975047
Reduced:	BrON2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	350.207981
ΔH_f, kcal/mol:	20.71
Dipole, Da:	3.75
IP(EA), eV:	-8.22(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)C=CC2=CC=CC=C2Br

DOS

IR

Vibrations