Geometry & MOs

Info

ID:	405694
PubChem CID:	135075015
Reduced:	NO4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	115.039519
ΔH_f, kcal/mol:	-135.06
Dipole, Da:	3.5
IP(EA), eV:	-11.09(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-4-hydroxy-3-methylbut-2-enoate

Drug info:

PubChemData

Smile

COC(=O)CCC(=CC#N)C(=O)OC

DOS

IR

Vibrations