Geometry & MOs

Info

ID:	186965
PubChem CID:	77508173
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-93.93
Dipole, Da:	5.58
IP(EA), eV:	-9.46(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-benzyl-3-butyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC(=O)OCCCCCCCC1=CC2C(=NC=NC2=O)S1

DOS

IR

Vibrations