Geometry & MOs

Info

ID:	293449
PubChem CID:	117389582
Reduced:	ClO2F3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	254.025833
ΔH_f, kcal/mol:	-249.27
Dipole, Da:	5.61
IP(EA), eV:	-9.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5-fluoro-4-methylphenyl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(CO)C1=C(C(=CC(=C1)C(F)(F)F)Cl)O

DOS

IR

Vibrations