Geometry & MOs

Info

ID:	13661
PubChem CID:	396581
Reduced:	SN4H12C15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	280.078268
ΔH_f, kcal/mol:	161.54
Dipole, Da:	0.7
IP(EA), eV:	-9.05(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzylsulfanyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

C#CCN1C2=C(C=N1)C(=NC=N2)SCC3=CC=CC=C3

DOS

IR

Vibrations