Geometry & MOs

Info

ID:	378449
PubChem CID:	134224531
Reduced:	NO2C15H27 (1)
Stoich.:	AB2C15D27 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-125.06
Dipole, Da:	6.83
IP(EA), eV:	-9.49(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-oxatricyclo[2.2.1.11,3]octan-5-yl)-1,3-dipropyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CCC1C/C(=C/CC(CC(C)(C)C)N)/CC(=O)O1

DOS

IR

Vibrations