Geometry & MOs

Info

ID:	185353
PubChem CID:	77288693
Reduced:	O2C13H20 (2)
Stoich.:	A2B13C20 (2)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-205.29
Dipole, Da:	3.76
IP(EA), eV:	-9.34(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-3-(2-methylpropyl)-4,5,7,8-tetrahydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCCCCCC(CC=CCCCCCCCC(=O)O)(C(=O)CC1=CC=CC=C1)O

DOS

IR

Vibrations