Geometry & MOs

Info

ID:	187658
PubChem CID:	77606220
Reduced:	IN2O5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-171.29
Dipole, Da:	6.3
IP(EA), eV:	-9.91(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3-ethylpentyl)-4,5-dihydro-3H-purine-2,6-dione

Drug info:

PubChemData

Smile

C1C(C(=O)N(C(=O)N1CCC(CO)O)C(=O)C2=CC=CC=C2)I

DOS

IR

Vibrations