Geometry & MOs

Info

ID:	26873
PubChem CID:	801044
Reduced:	ClSO2N4H11C15 (1)
Stoich.:	ABC2D4E11F15 (1)
Weight, g/mol:	328.122321
ΔH_f, kcal/mol:	93.7
Dipole, Da:	7.79
IP(EA), eV:	-8.46(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-6-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2SC1=NN=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations