Geometry & MOs

Info

ID:	294353
PubChem CID:	117454154
Reduced:	ClO5H11C13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	282.057134
ΔH_f, kcal/mol:	-174.56
Dipole, Da:	6.24
IP(EA), eV:	-9.34(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-chloro-2-(2-fluoropropan-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2(C1)OC3=C(O2)C=C(C(=C3)C(=O)C(=O)O)Cl

DOS

IR

Vibrations