Geometry & MOs

Info

ID:	255348
PubChem CID:	103131521
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-58.02
Dipole, Da:	3.82
IP(EA), eV:	-8.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations