Geometry & MOs

Info

ID:	129437
PubChem CID:	51072589
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	276.127406
ΔH_f, kcal/mol:	-111.36
Dipole, Da:	2.64
IP(EA), eV:	-8.71(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-acetylpiperazin-1-yl)-3-(3-fluorophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC(=O)N2CCOCC2

DOS

IR

Vibrations