Geometry & MOs

Info

ID:	320926
PubChem CID:	126664257
Reduced:	BrFO2N3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	355.03317
ΔH_f, kcal/mol:	-71.98
Dipole, Da:	5.52
IP(EA), eV:	-8.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1CC(=O)NC1)OC2=CC(=CC3=NN(C(=C23)F)C)Br

DOS

IR

Vibrations