Geometry & MOs

Info

ID:	291304
PubChem CID:	111978561
Reduced:	ION3C21H30 (1)
Stoich.:	ABC3D21E30 (1)
Weight, g/mol:	542.21177
ΔH_f, kcal/mol:	-3.87
Dipole, Da:	2.2
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=CC2=CC=CC=C21)N3CCC(C3)COCC.I

DOS

IR

Vibrations