Geometry & MOs

Info

ID:	358766
PubChem CID:	127296632
Reduced:	SN2O3C15H26 (1)
Stoich.:	AB2C3D15E26 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-143.65
Dipole, Da:	3.48
IP(EA), eV:	-9.21(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-7-[2-(4-methylidenepiperidin-1-yl)-2-oxoethyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCCC1C(=O)N2CCC(=C)CC2

DOS

IR

Vibrations