Geometry & MOs

Info

ID:	296950
PubChem CID:	117602236
Reduced:	KN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-103.75
Dipole, Da:	23.28
IP(EA), eV:	-6.28(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[hydroxy(phenyl)methylidene]-2-oxopentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=N[C-]=C1)C(=O)NCCCOC.[K+]

DOS

IR

Vibrations