Geometry & MOs

Info

ID:	280176
PubChem CID:	103847352
Reduced:	ClNOSC11H14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	260.075012
ΔH_f, kcal/mol:	-29.44
Dipole, Da:	3.8
IP(EA), eV:	-9.13(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1,3-dimethyl-4-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazole

Drug info:

PubChemData

Smile

CC1C(CCO1)SCC2=CN=C(C=C2)Cl

DOS

IR

Vibrations