Geometry & MOs

Info

ID:	264254
PubChem CID:	103446814
Reduced:	SO2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	258.113506
ΔH_f, kcal/mol:	-80.29
Dipole, Da:	2.96
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-ethyl-5-methylpyrazol-3-yl)-3-hydroxy-3-methylpentan-2-one

Drug info:

PubChemData

Smile

CCC(C)(C(=O)C1=CC=C(S1)C)O

DOS

IR

Vibrations