Geometry & MOs

Info

ID:	290882
PubChem CID:	111406256
Reduced:	IN3O4C18H32 (1)
Stoich.:	AB3C4D18E32 (1)
Weight, g/mol:	528.24374
ΔH_f, kcal/mol:	-156.92
Dipole, Da:	5.46
IP(EA), eV:	-8.94(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(C1=CC=C(C=C1)OC)O)NCCCOCCOC.I

DOS

IR

Vibrations