Geometry & MOs

Info

ID:	129429
PubChem CID:	51072561
Reduced:	ClNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	248.132491
ΔH_f, kcal/mol:	-52.78
Dipole, Da:	3.86
IP(EA), eV:	-9.31(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CCC2=CC=CC=C2Cl

DOS

IR

Vibrations