Geometry & MOs

Info

ID:	255346
PubChem CID:	103131514
Reduced:	FN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-63.54
Dipole, Da:	6.4
IP(EA), eV:	-9.44(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(1-methylpyrazol-3-yl)benzoic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=C(C(=CC=C2)F)C(=O)O

DOS

IR

Vibrations