Geometry & MOs

Info

ID:	291193
PubChem CID:	111978133
Reduced:	BrIN4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	575.21211
ΔH_f, kcal/mol:	70.89
Dipole, Da:	2.88
IP(EA), eV:	-8.25(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=C(C=C1)Br)NC2CCN(C2)C3=CC=CC=C3.I

DOS

IR

Vibrations