Geometry & MOs

Info

ID:	85026
PubChem CID:	49871381
Reduced:	OC7H8 (3)
Stoich.:	AB7C8 (3)
Weight, g/mol:	234.111676
ΔH_f, kcal/mol:	-109.34
Dipole, Da:	2.52
IP(EA), eV:	-8.02(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,7-trimethyl-8-prop-1-en-2-ylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCC(O2)(C)C)C(=C1O)/C=C/C3=CC=C(C=C3)O)C

DOS

IR

Vibrations