Geometry & MOs

Info

ID:	314823
PubChem CID:	126623518
Reduced:	BrFO2N3C10H11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	326.98547
ΔH_f, kcal/mol:	-108.4
Dipole, Da:	2.49
IP(EA), eV:	-9.62(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-bromopyridin-2-yl)carbamoyl]-4-oxopyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@H](N1)C(=O)NC2=NC(=CC=C2)Br)O)F

DOS

IR

Vibrations