Geometry & MOs

Info

ID:	430656
PubChem CID:	135170722
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	232.96876
ΔH_f, kcal/mol:	-106.57
Dipole, Da:	3.36
IP(EA), eV:	-9.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC(N(C1=O)C)OC(=O)C2CC2

DOS

IR

Vibrations