Geometry & MOs

Info

ID:	253522
PubChem CID:	103118991
Reduced:	ClFO2N4C12H12 (1)
Stoich.:	ABC2D4E12F12 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	-65.32
Dipole, Da:	4.36
IP(EA), eV:	-9.83(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-3-(4-methylsulfanylphenyl)propane-1,3-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)F)CN2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations