Geometry & MOs

Info

ID:	176892
PubChem CID:	76108105
Reduced:	N2O3C12H12 (2)
Stoich.:	A2B3C12D12 (2)
Weight, g/mol:	198.051481
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	7.51
IP(EA), eV:	-8.46(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 2-(5,6-dioxo-1,2,4-triazin-4-ium-4-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(=NC2=CC(=C(C=C2C1=C3C=CC(=O)C(=C3)OC)OC)OC)CN4C=NC=N4

DOS

IR

Vibrations