Geometry & MOs

Info

ID:	291212
PubChem CID:	111978164
Reduced:	BrF4N4C15H19 (1)
Stoich.:	AB4C4D15E19 (1)
Weight, g/mol:	552.00087
ΔH_f, kcal/mol:	-169.3
Dipole, Da:	4.23
IP(EA), eV:	-9.55(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-fluorophenyl)methyl]-1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=C(C=C(C=C1)Br)F)NC2CCN(C2)CC(F)(F)F

DOS

IR

Vibrations