Geometry & MOs

Info

ID:	253537
PubChem CID:	103119083
Reduced:	O3N5C13H13 (1)
Stoich.:	A3B5C13D13 (1)
Weight, g/mol:	314.002511
ΔH_f, kcal/mol:	-15.08
Dipole, Da:	6.79
IP(EA), eV:	-9.83(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dichloro-3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propane-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(O2)CN3C(=C(N=N3)C(=O)O)CCN

DOS

IR

Vibrations