Geometry & MOs

Info

ID:	299975
PubChem CID:	118043623
Reduced:	NO4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	155.082053
ΔH_f, kcal/mol:	-144.74
Dipole, Da:	5.72
IP(EA), eV:	-9.21(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-hydroxy-3,5,6-trimethylpyrazin-4-ium-2-one

Drug info:

PubChemData

Smile

COCCOCCNC(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations