Geometry & MOs

Info

ID:	291250
PubChem CID:	111978279
Reduced:	IN6C20H25 (1)
Stoich.:	AB6C20D25 (1)
Weight, g/mol:	539.21211
ΔH_f, kcal/mol:	91.55
Dipole, Da:	2.48
IP(EA), eV:	-8.8(-0.46)
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-prop-2-enylpiperidin-4-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=NC)NCC3=CC=CC4=CC=CC=C43.I

DOS

IR

Vibrations