Geometry & MOs

Info

ID:	291210
PubChem CID:	111978162
Reduced:	OF3N5C22H32 (1)
Stoich.:	AB3C5D22E32 (1)
Weight, g/mol:	537.98522
ΔH_f, kcal/mol:	-178.38
Dipole, Da:	3.93
IP(EA), eV:	-9.26(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN=C(NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NC3CCN(C3)CC(F)(F)F

DOS

IR

Vibrations