Geometry & MOs

Info

ID:	165336
PubChem CID:	74534614
Reduced:	N3O6H23C24 (1)
Stoich.:	A3B6C23D24 (1)
Weight, g/mol:	319.093011
ΔH_f, kcal/mol:	-187.65
Dipole, Da:	3.29
IP(EA), eV:	-8.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-acetyl-1-(2-methoxyethyl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)COC(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations