Geometry & MOs

Info

ID:	64729
PubChem CID:	29203918
Reduced:	ClFN2O3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	338.179442
ΔH_f, kcal/mol:	-101.25
Dipole, Da:	4.85
IP(EA), eV:	-8.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-ethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1COC2=C(C(=CC(=C2)/C=C/C(=O)N3CCN(CC3)C4=CC=CC=C4F)Cl)OC1

DOS

IR

Vibrations