Geometry & MOs

Info

ID:	279663
PubChem CID:	103844602
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	218.064447
ΔH_f, kcal/mol:	-24.01
Dipole, Da:	1.58
IP(EA), eV:	-9.19(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(3-ethylsulfanylpropyl)-5-methylpyrazole

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)C(=O)NCCC2=CCCC2

DOS

IR

Vibrations