Geometry & MOs

Info

ID:	147921
PubChem CID:	53787581
Reduced:	SO4H10C15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	457.247775
ΔH_f, kcal/mol:	-80.46
Dipole, Da:	5.31
IP(EA), eV:	-9.2(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-8-(3-cyclopentylpropyl)-3-(2-pyridin-2-ylethyl)purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C=CC(=C3)C(=O)O

DOS

IR

Vibrations