Geometry & MOs

Info

ID:	291295
PubChem CID:	111978525
Reduced:	BrIN4C20H32 (1)
Stoich.:	ABC4D20E32 (1)
Weight, g/mol:	558.20669
ΔH_f, kcal/mol:	14.86
Dipole, Da:	1.31
IP(EA), eV:	-8.46(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=C(C=C1)Br)NC2CCN(CC2)C3CCCCC3.I

DOS

IR

Vibrations