Geometry & MOs

Info

ID:	337833
PubChem CID:	127258456
Reduced:	O4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-145.44
Dipole, Da:	2.98
IP(EA), eV:	-10.08(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-2-(2-hydroxyethyl)-3-[methyl(phenyl)hydrazinylidene]butanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)OC/C=C\C1C(=O)C=CO1

DOS

IR

Vibrations