Geometry & MOs

Info

ID:	124593
PubChem CID:	50888556
Reduced:	N4O5H18C22 (1)
Stoich.:	A4B5C18D22 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-61.69
Dipole, Da:	5.43
IP(EA), eV:	-8.7(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,5-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)O)OC)C4=CC=CC(=C4)C(=O)O

DOS

IR

Vibrations