Geometry & MOs

Info

ID:	128922
PubChem CID:	51063679
Reduced:	HNNaOF3C4 (1)
Stoich.:	ABCDE3F4 (1)
Weight, g/mol:	249.9967
ΔH_f, kcal/mol:	-216.25
Dipole, Da:	6.77
IP(EA), eV:	-9.1(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-iodo-3,5-dimethylpyrazole

Drug info:

PubChemData

Smile

C(=C(/C(F)(F)F)\[O-])\C#N.[Na+]

DOS

IR

Vibrations