Geometry & MOs

Info

ID:	1540
PubChem CID:	4665
Reduced:	ClFON3H13C20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	365.073118
ΔH_f, kcal/mol:	27.42
Dipole, Da:	3.58
IP(EA), eV:	-9.05(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(NN(C2=O)C3=CC=C(C=C3)Cl)C4=CC=NC=C4)F

DOS

IR

Vibrations