Geometry & MOs

Info

ID:	225926
PubChem CID:	87246430
Reduced:	LiN3C9H24 (1)
Stoich.:	AB3C9D24 (1)
Weight, g/mol:	342.017412
ΔH_f, kcal/mol:	-26.42
Dipole, Da:	4.0
IP(EA), eV:	-7.11(3.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[Li+].CCCNCCCCC(C)N.[NH2-]

DOS

IR

Vibrations