Geometry & MOs

Info

ID:	141432
PubChem CID:	52877076
Reduced:	F3N3O3C15H22 (1)
Stoich.:	A3B3C3D15E22 (1)
Weight, g/mol:	415.10212
ΔH_f, kcal/mol:	-321.74
Dipole, Da:	8.73
IP(EA), eV:	-9.65(0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(3-bromophenoxy)phenyl]-[(3R)-3-pyrrolidin-1-ium-1-ylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)[C@H]2CC(=O)N(C2)CC(F)(F)F)CCC(=O)N

DOS

IR

Vibrations