Geometry & MOs

Info

ID:	287381
PubChem CID:	104239632
Reduced:	ClON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	324.043233
ΔH_f, kcal/mol:	-33.86
Dipole, Da:	5.32
IP(EA), eV:	-9.66(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(4-chlorophenyl)-3-cyclopentylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2C(=C(C(=N2)C3CCCC3)C=O)Cl

DOS

IR

Vibrations