Geometry & MOs

Info

ID:	375349
PubChem CID:	131500050
Reduced:	BrNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	-68.48
Dipole, Da:	5.94
IP(EA), eV:	-9.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-1-(6-methoxypyridin-3-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1C[C@H](C2=CC(=C(C=C2C1)Br)C(=O)O)N

DOS

IR

Vibrations