Geometry & MOs

Info

ID:	183714
PubChem CID:	77060953
Reduced:	OSN3C4H11 (1)
Stoich.:	ABC3D4E11 (1)
Weight, g/mol:	269.12498
ΔH_f, kcal/mol:	-13.64
Dipole, Da:	1.63
IP(EA), eV:	-8.75(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-2-ium-6-ylidene)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

COCCSC(=NN)N

DOS

IR

Vibrations