Geometry & MOs

Info

ID:	85036
PubChem CID:	49871431
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	296.127326
ΔH_f, kcal/mol:	-69.98
Dipole, Da:	5.58
IP(EA), eV:	-8.83(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,7-trimethyl-8-(1-phenylethenyl)purine-2,6-dione

Drug info:

PubChemData

Smile

CCCCCC/C=C/C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

DOS

IR

Vibrations