Geometry & MOs

Info

ID:	184548
PubChem CID:	77174846
Reduced:	NCl2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	242.101505
ΔH_f, kcal/mol:	-93.65
Dipole, Da:	3.37
IP(EA), eV:	-9.32(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-bis(2-hydroxyethyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])OCCCCl)OCCCCl

DOS

IR

Vibrations