Geometry & MOs

Info

ID:	173427
PubChem CID:	75637056
Reduced:	BrO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	340.098511
ΔH_f, kcal/mol:	59.23
Dipole, Da:	6.04
IP(EA), eV:	-8.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-acetyl-1-(2-fluorophenyl)-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC3=NC=NN3C(C2)C4=CC=C(C=C4)Br)OC

DOS

IR

Vibrations