Geometry & MOs

Info

ID:	216895
PubChem CID:	85086938
Reduced:	OSnC13H22 (1)
Stoich.:	ABC13D22 (1)
Weight, g/mol:	235.119501
ΔH_f, kcal/mol:	-25.81
Dipole, Da:	4.78
IP(EA), eV:	-9.5(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7,9-bis(prop-2-enyl)-4,5-dihydro-3H-purin-9-ium-2,6-dione

Drug info:

PubChemData

Smile

CC(=CCC1CCC(=O)C=C1)[Sn](C)(C)C

DOS

IR

Vibrations