Geometry & MOs

Info

ID:	19544
PubChem CID:	567239
Reduced:	FN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	347.16452
ΔH_f, kcal/mol:	-124.75
Dipole, Da:	4.55
IP(EA), eV:	-8.75(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2F)CCN3CCNCC3)O

DOS

IR

Vibrations