Geometry & MOs

Info

ID:	291319
PubChem CID:	111978628
Reduced:	BrFN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	484.16991
ΔH_f, kcal/mol:	4.88
Dipole, Da:	3.35
IP(EA), eV:	-9.14(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Br)F)NCC2CC2

DOS

IR

Vibrations