Geometry & MOs

Info

ID:	291236
PubChem CID:	111978236
Reduced:	BrFN4C17H24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	524.04478
ΔH_f, kcal/mol:	-5.64
Dipole, Da:	1.96
IP(EA), eV:	-8.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(4-bromo-2-fluorophenyl)methyl]-N-ethyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=C(C=C(C=C1)Br)F)N2CCC(C2)N3CCCC3

DOS

IR

Vibrations