Geometry & MOs

Info

ID:	215997
PubChem CID:	85085556
Reduced:	SN3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	212.09094
ΔH_f, kcal/mol:	41.51
Dipole, Da:	3.24
IP(EA), eV:	-8.98(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propyl-4,5,7,9-tetrahydropurine-2,6,8-trione

Drug info:

PubChemData

Smile

C1CCC(CC1)C=CC2=NN=C(S2)N

DOS

IR

Vibrations