Geometry & MOs

Info

ID:	356661
PubChem CID:	127292080
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	233.12766
ΔH_f, kcal/mol:	-36.98
Dipole, Da:	3.25
IP(EA), eV:	-8.51(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylpiperidin-1-yl)-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=CN=C2)C(=O)CCC(=O)N3CCSC4=CC=CC=C43

DOS

IR

Vibrations