Geometry & MOs

Info

ID:	127093
PubChem CID:	50990494
Reduced:	Cl2O2F3N3H4C10 (1)
Stoich.:	A2B2C3D3E4F10 (1)
Weight, g/mol:	291.002239
ΔH_f, kcal/mol:	-162.84
Dipole, Da:	7.18
IP(EA), eV:	-10.31(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloropyridin-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)Cl

DOS

IR

Vibrations