Geometry & MOs

Info

ID:	142620
PubChem CID:	53067879
Reduced:	ClFON4H14C21 (1)
Stoich.:	ABCD4E14F21 (1)
Weight, g/mol:	392.084017
ΔH_f, kcal/mol:	34.44
Dipole, Da:	3.52
IP(EA), eV:	-9.09(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations