Geometry & MOs

Info

ID:	291341
PubChem CID:	111978694
Reduced:	OSN4C22H30 (1)
Stoich.:	ABC4D22E30 (1)
Weight, g/mol:	530.21177
ΔH_f, kcal/mol:	7.71
Dipole, Da:	3.65
IP(EA), eV:	-8.92(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CSC=C1)NCC(=O)N2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations