Geometry & MOs

Info

ID:	182569
PubChem CID:	76908368
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	278.106671
ΔH_f, kcal/mol:	-99.46
Dipole, Da:	6.21
IP(EA), eV:	-8.84(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)C=CC(=O)O)OC)C2CCCC2

DOS

IR

Vibrations