Geometry & MOs

Info

ID:	291213
PubChem CID:	111978165
Reduced:	BrIF4N4C16H22 (1)
Stoich.:	ABC4D4E16F22 (1)
Weight, g/mol:	546.02913
ΔH_f, kcal/mol:	-178.0
Dipole, Da:	4.87
IP(EA), eV:	-9.51(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromophenyl)methyl]-3-[1-(3-fluorophenyl)piperidin-4-yl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Br)F)NC2CCN(C2)CC(F)(F)F.I

DOS

IR

Vibrations