Geometry & MOs

Info

ID:	291239
PubChem CID:	111978248
Reduced:	BrON4C19H31 (1)
Stoich.:	ABC4D19E31 (1)
Weight, g/mol:	571.23832
ΔH_f, kcal/mol:	-22.08
Dipole, Da:	3.25
IP(EA), eV:	-8.64(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-[1-(3-methoxypropyl)piperidin-4-yl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations