Geometry & MOs

Info

ID:	232373
PubChem CID:	87576088
Reduced:	ClFN3O3H9C13 (1)
Stoich.:	ABC3D3E9F13 (1)
Weight, g/mol:	466.007893
ΔH_f, kcal/mol:	-103.98
Dipole, Da:	2.94
IP(EA), eV:	-9.64(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[[2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-3-carbonyl]amino]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)CC2=NC(=NC=C2)Cl)NC(=O)O)F

DOS

IR

Vibrations