Geometry & MOs

Info

ID:	208043
PubChem CID:	80484448
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	297.033876
ΔH_f, kcal/mol:	58.27
Dipole, Da:	2.15
IP(EA), eV:	-9.47(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-chlorophenyl)-3-ethylsulfanylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1CC2=NOC(=N2)C3C4=CC=CC=C4CCN3

DOS

IR

Vibrations