Geometry & MOs

Info

ID:	14166
PubChem CID:	405590
Reduced:	SN5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	257.073517
ΔH_f, kcal/mol:	94.25
Dipole, Da:	4.98
IP(EA), eV:	-8.91(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylanilino)-1H-pyrazolo[3,4-d]pyrimidine-6-thiol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3)S

DOS

IR

Vibrations