Geometry & MOs

Info

ID:	85037
PubChem CID:	49871432
Reduced:	ON2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	386.15902
ΔH_f, kcal/mol:	-10.68
Dipole, Da:	4.54
IP(EA), eV:	-9.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,7-trimethyl-8-[1-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations