Geometry & MOs

Info

ID:	85038
PubChem CID:	49871433
Reduced:	N4O5C19H22 (1)
Stoich.:	A4B5C19D22 (1)
Weight, g/mol:	448.189926
ΔH_f, kcal/mol:	-124.65
Dipole, Da:	6.6
IP(EA), eV:	-8.88(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(N=C1C(=C)C3=CC(=C(C(=C3)OC)OC)OC)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations