Geometry & MOs

Info

ID:	445697
PubChem CID:	135268974
Reduced:	NSO2C7H11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-85.33
Dipole, Da:	2.27
IP(EA), eV:	-9.49(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-1-(3-hydroxypropyl)-3,8-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CN=C(S1)CCC(O)O

DOS

IR

Vibrations