Geometry & MOs

Info

ID:	192967
PubChem CID:	78330053
Reduced:	ClON2H5C8 (2)
Stoich.:	ABC2D5E8 (2)
Weight, g/mol:	296.196074
ΔH_f, kcal/mol:	52.48
Dipole, Da:	5.52
IP(EA), eV:	-9.41(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-8-yl)amino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=NC2=O)C(=O)NN=CC3=C(C=CC(=C3)Cl)Cl)C=C1

DOS

IR

Vibrations