Geometry & MOs

Info

ID:	337923
PubChem CID:	127258546
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	206.069142
ΔH_f, kcal/mol:	-153.27
Dipole, Da:	1.58
IP(EA), eV:	-9.47(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-2-oxo-3-(phenylhydrazinylidene)butanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)OCC(=O)OC1=CC=CC=C1

DOS

IR

Vibrations