Geometry & MOs

Info

ID:	216751
PubChem CID:	85086723
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	298.1304
ΔH_f, kcal/mol:	-79.96
Dipole, Da:	10.37
IP(EA), eV:	-8.82(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-(N-ethylanilino)-1,3-dimethylpurin-3-ium-2,6-dione

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC3=C(C4=C2CCC4)C(=O)C(C=N3)C(=O)O

DOS

IR

Vibrations