Geometry & MOs

Info

ID:	432207
PubChem CID:	135172339
Reduced:	OSC10H16 (1)
Stoich.:	ABC10D16 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-48.86
Dipole, Da:	2.79
IP(EA), eV:	-8.64(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5E)-5-(1-amino-2-methylpropylidene)-4-hydroxy-6-(methylamino)-2-oxopyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=C)SC1(C)CCO

DOS

IR

Vibrations