Geometry & MOs

Info

ID:	273963
PubChem CID:	103806118
Reduced:	SBr2O2N3C13H17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	226.092912
ΔH_f, kcal/mol:	-46.7
Dipole, Da:	3.84
IP(EA), eV:	-9.57(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminopyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C(SC(=C2)Br)Br)C(=O)NCCN

DOS

IR

Vibrations