Geometry & MOs

Info

ID:	291241
PubChem CID:	111978252
Reduced:	BrON4C18H29 (1)
Stoich.:	ABC4D18E29 (1)
Weight, g/mol:	510.18556
ΔH_f, kcal/mol:	-11.73
Dipole, Da:	3.23
IP(EA), eV:	-8.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[1-(3-methoxypropyl)piperidin-4-yl]-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=C(C=C1)Br)NC2CCN(CC2)CCCOC

DOS

IR

Vibrations