Geometry & MOs

Info

ID:	430657
PubChem CID:	135170723
Reduced:	BrNO3C7H8 (1)
Stoich.:	ABC3D7E8 (1)
Weight, g/mol:	232.96876
ΔH_f, kcal/mol:	-104.85
Dipole, Da:	3.45
IP(EA), eV:	-10.08(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-1-methyl-5-oxo-2H-pyrrol-2-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1C(=CC(=O)N1C)Br

DOS

IR

Vibrations