Geometry & MOs

Info

ID:	225915
PubChem CID:	87246419
Reduced:	ON2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	328.001762
ΔH_f, kcal/mol:	-44.79
Dipole, Da:	4.99
IP(EA), eV:	-8.97(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chloroacetyl)-2-(2-chlorophenyl)-3-oxo-1H-pyrazol-5-yl] acetate

Drug info:

PubChemData

Smile

CCC/C=C(\C)/C(=O)N.CN(C)CC=C

DOS

IR

Vibrations