Geometry & MOs

Info

ID:	363187
PubChem CID:	127310255
Reduced:	SO3N4C16H24 (1)
Stoich.:	AB3C4D16E24 (1)
Weight, g/mol:	376.222289
ΔH_f, kcal/mol:	-94.19
Dipole, Da:	3.36
IP(EA), eV:	-9.07(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-8-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purine-2,6-dione

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(N=CC=C2)NCCNC(=O)C3CC3

DOS

IR

Vibrations