Geometry & MOs

Info

ID:	151627
PubChem CID:	55161757
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	279.036086
ΔH_f, kcal/mol:	-15.79
Dipole, Da:	2.26
IP(EA), eV:	-9.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=C2C=N1)N)COCC3CCOC3

DOS

IR

Vibrations