Geometry & MOs

Info

ID:	12996
PubChem CID:	219855
Reduced:	SN4C7H8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	180.046967
ΔH_f, kcal/mol:	71.63
Dipole, Da:	1.69
IP(EA), eV:	-9.21(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-dimethylpyrazolo[3,4-d]pyrimidine-4-thiol

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C)C(=N1)S

DOS

IR

Vibrations