Geometry & MOs

Info

ID:	291356
PubChem CID:	111978728
Reduced:	BrFN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	484.16991
ΔH_f, kcal/mol:	8.14
Dipole, Da:	2.94
IP(EA), eV:	-8.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC1CC1NC(=NC)NCC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations