Geometry & MOs

Info

ID:	127092
PubChem CID:	50990493
Reduced:	ClO2N3H4F6C11 (1)
Stoich.:	AB2C3D4E6F11 (1)
Weight, g/mol:	324.963266
ΔH_f, kcal/mol:	-315.25
Dipole, Da:	4.77
IP(EA), eV:	-10.71(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dichloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)N2C(=C(C=N2)C(=O)O)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations