Geometry & MOs

Info

ID:	24415
PubChem CID:	609995
Reduced:	FN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	340.158706
ΔH_f, kcal/mol:	-75.2
Dipole, Da:	1.98
IP(EA), eV:	-8.73(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)F

DOS

IR

Vibrations