Geometry & MOs

Info

ID:	294330
PubChem CID:	117453334
Reduced:	OF3N4H9C12 (1)
Stoich.:	AB3C4D9E12 (1)
Weight, g/mol:	282.081599
ΔH_f, kcal/mol:	-88.18
Dipole, Da:	5.19
IP(EA), eV:	-9.11(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C=C(NC2=C1)C(F)(F)F)C3=NOC(=N3)CN

DOS

IR

Vibrations