Geometry & MOs

Info

ID:	291352
PubChem CID:	111978721
Reduced:	BrFION3C16H24 (1)
Stoich.:	ABCDE3F16G24 (1)
Weight, g/mol:	542.21177
ΔH_f, kcal/mol:	-60.87
Dipole, Da:	6.86
IP(EA), eV:	-8.99(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CCOC1CCN(CC1)C(=NC)NCC2=C(C=C(C=C2)Br)F.I

DOS

IR

Vibrations