Geometry & MOs

Info

ID:	291327
PubChem CID:	111978645
Reduced:	BrIF2N3C16H17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	566.17539
ΔH_f, kcal/mol:	-31.16
Dipole, Da:	2.99
IP(EA), eV:	-9.6(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-[(2,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC(=CC=C1)F)NCC2=C(C=C(C=C2)Br)F.I

DOS

IR

Vibrations