Geometry & MOs

Info

ID:	287383
PubChem CID:	104239682
Reduced:	ClN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	292.072703
ΔH_f, kcal/mol:	-74.46
Dipole, Da:	6.55
IP(EA), eV:	-10.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-cyclopentyl-1-pyrazin-2-ylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C2CCCC2)C(=O)O)Cl

DOS

IR

Vibrations