Geometry & MOs

Info

ID:	28846
PubChem CID:	830025
Reduced:	NSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	-50.89
Dipole, Da:	4.64
IP(EA), eV:	-9.42(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(ethylamino)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)/C=C/2\NC(=O)CS2

DOS

IR

Vibrations