Geometry & MOs

Info

ID:	291242
PubChem CID:	111978253
Reduced:	ION4C23H35 (1)
Stoich.:	ABC4D23E35 (1)
Weight, g/mol:	556.071
ΔH_f, kcal/mol:	-6.21
Dipole, Da:	3.62
IP(EA), eV:	-8.57(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-fluorophenyl)methyl]-1-ethyl-3-[1-(3-methoxypropyl)piperidin-4-yl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=CC2=CC=CC=C21)NC3CCN(CC3)CCCOC.I

DOS

IR

Vibrations