Geometry & MOs

Info

ID:	398438
PubChem CID:	135033298
Reduced:	NSC7O8H13 (1)
Stoich.:	ABC7D8E13 (1)
Weight, g/mol:	226.074228
ΔH_f, kcal/mol:	-339.93
Dipole, Da:	3.29
IP(EA), eV:	-10.83(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrazol-1-ylnaphthalene-1,2-diol

Drug info:

PubChemData

Smile

C1[C@]2(C(C([C@@H](C(O2)CO)O)O)O)NS(=O)(=O)O1

DOS

IR

Vibrations