Geometry & MOs

Info

ID:	336448
PubChem CID:	127255455
Reduced:	BO6C12H13 (1)
Stoich.:	AB6C12D13 (1)
Weight, g/mol:	323.91625
ΔH_f, kcal/mol:	-278.88
Dipole, Da:	6.04
IP(EA), eV:	-9.02(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-2H-indazole-5-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

B(C1=C(C2=C(O1)C=CC(=C2)OC)C(=O)OCC)(O)O

DOS

IR

Vibrations