Geometry & MOs

Info

ID:	147763
PubChem CID:	53787421
Reduced:	C13H18 (1)
Stoich.:	A13B18 (1)
Weight, g/mol:	362.195405
ΔH_f, kcal/mol:	-2.05
Dipole, Da:	0.48
IP(EA), eV:	-8.75(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,6-dioxo-5-propan-2-ylnonan-5-yl)-8-methyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2(CCC2)C

DOS

IR

Vibrations