Geometry & MOs

Info

ID:	130331
PubChem CID:	51075626
Reduced:	N2O2F3C15H17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	298.054277
ΔH_f, kcal/mol:	-234.74
Dipole, Da:	4.93
IP(EA), eV:	-9.46(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-acetylpiperazin-1-yl)-3-(5-chlorothiophen-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations