Geometry & MOs

Info

ID:	23231
PubChem CID:	602893
Reduced:	ClNOH5C6 (2)
Stoich.:	ABCD5E6 (2)
Weight, g/mol:	284.011933
ΔH_f, kcal/mol:	-42.89
Dipole, Da:	2.26
IP(EA), eV:	-9.42(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations