Geometry & MOs

Info

ID:	182570
PubChem CID:	76908499
Reduced:	FN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	278.106671
ΔH_f, kcal/mol:	-131.23
Dipole, Da:	8.17
IP(EA), eV:	-9.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-5-[(3-oxopiperazin-1-yl)methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)CC2=C(C=C(C=C2)F)C=CC(=O)O

DOS

IR

Vibrations