Geometry & MOs

Info

ID:	137374
PubChem CID:	52200864
Reduced:	ClFN2O3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	384.115317
ΔH_f, kcal/mol:	-136.84
Dipole, Da:	3.52
IP(EA), eV:	-8.3(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)pyrazol-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)NCCC2=CC=C(C=C2)F)OC)Cl

DOS

IR

Vibrations