Geometry & MOs

Info

ID:	172581
PubChem CID:	75527129
Reduced:	ClF2O3N4H15C21 (1)
Stoich.:	AB2C3D4E15F21 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	-76.82
Dipole, Da:	3.28
IP(EA), eV:	-9.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CN3CC(=O)NC4=C(C=CC(=C4)F)Cl)F

DOS

IR

Vibrations