Geometry & MOs

Info

ID:	310355
PubChem CID:	126579212
Reduced:	NH5O6C8 (1)
Stoich.:	AB5C6D8 (1)
Weight, g/mol:	349.9319
ΔH_f, kcal/mol:	-198.17
Dipole, Da:	5.7
IP(EA), eV:	-10.92(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-6-iodophenyl)methoxy]-1-hydroxypyrazole

Drug info:

PubChemData

Smile

C1=C(C=C(N=C1C(=O)O)OC=O)C(=O)O

DOS

IR

Vibrations