Geometry & MOs

Info

ID:	391062
PubChem CID:	135002571
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	338.033731
ΔH_f, kcal/mol:	-80.43
Dipole, Da:	5.15
IP(EA), eV:	-8.95(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,4-dichlorophenyl)-1,3,7-trimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

DOS

IR

Vibrations