Geometry & MOs

Info

ID:	287382
PubChem CID:	104239664
Reduced:	Cl2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	242.082205
ΔH_f, kcal/mol:	-43.8
Dipole, Da:	4.76
IP(EA), eV:	-9.73(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-cyclopentyl-1-ethylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NN(C(=C2C(=O)O)Cl)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations