Geometry & MOs

Info

ID:	255347
PubChem CID:	103131517
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	232.084792
ΔH_f, kcal/mol:	-27.45
Dipole, Da:	7.33
IP(EA), eV:	-9.1(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-(1-methylpyrazol-3-yl)benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)O)C2=NN(C=C2)C

DOS

IR

Vibrations