Geometry & MOs

Info

ID:	129773
PubChem CID:	51073810
Reduced:	FN6H15C16 (1)
Stoich.:	AB6C15D16 (1)
Weight, g/mol:	340.158706
ΔH_f, kcal/mol:	60.59
Dipole, Da:	3.79
IP(EA), eV:	-8.98(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=NC3=C2C=CC(=C3)F)C4=NC=CC=N4

DOS

IR

Vibrations