Geometry & MOs

Info

ID:	85374
PubChem CID:	49874617
Reduced:	N2O4H20C25 (1)
Stoich.:	A2B4C20D25 (1)
Weight, g/mol:	252.03017
ΔH_f, kcal/mol:	-38.1
Dipole, Da:	9.32
IP(EA), eV:	-8.85(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC(=C4)C(=O)O

DOS

IR

Vibrations