Geometry & MOs

Info

ID:	20816
PubChem CID:	585868
Reduced:	FNO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	249.080121
ΔH_f, kcal/mol:	-144.25
Dipole, Da:	1.44
IP(EA), eV:	-9.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-fluorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(CC(=O)N1C2=CC=C(C=C2)F)C(=O)OC

DOS

IR

Vibrations