Geometry & MOs

Info

ID:	429833
PubChem CID:	135169886
Reduced:	ClF3O3N8H18C22 (1)
Stoich.:	AB3C3D8E18F22 (1)
Weight, g/mol:	327.063089
ΔH_f, kcal/mol:	-137.53
Dipole, Da:	5.29
IP(EA), eV:	-8.64(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-fluoroquinolin-4-yl)-3-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=CNC2=O)C(=C1)N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)N(/C(=C\N)/CO)N)Cl)C(F)(F)F

DOS

IR

Vibrations