Geometry & MOs

Info

ID:	284927
PubChem CID:	104084263
Reduced:	ClOSC10H19 (1)
Stoich.:	ABCD10E19 (1)
Weight, g/mol:	246.095747
ΔH_f, kcal/mol:	-84.29
Dipole, Da:	2.86
IP(EA), eV:	-8.74(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-yl-3-(3-chloropropylsulfanylmethyl)pyrazole

Drug info:

PubChemData

Smile

COC1CCCC(C1)SCCCCl

DOS

IR

Vibrations