Geometry & MOs

Info

ID:	24370
PubChem CID:	609739
Reduced:	FN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	278.143056
ΔH_f, kcal/mol:	-110.67
Dipole, Da:	6.98
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations