Geometry & MOs

Info

ID:	79882
PubChem CID:	49831022
Reduced:	ON3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	173.976695
ΔH_f, kcal/mol:	13.13
Dipole, Da:	2.4
IP(EA), eV:	-8.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2H-pyrazolo[3,4-d][1,3]thiazol-3-amine

Drug info:

PubChemData

Smile

CC(=O)N1C2=C(C=C(C=C2)N)C=N1

DOS

IR

Vibrations