Geometry & MOs

Info

ID:	228898
PubChem CID:	87566148
Reduced:	O3C5H11 (2)
Stoich.:	A3B5C11 (2)
Weight, g/mol:	158.057909
ΔH_f, kcal/mol:	-286.32
Dipole, Da:	6.45
IP(EA), eV:	-10.37(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4S)-4-acetyloxypent-2-enoic acid

Drug info:

PubChemData

Smile

CCCCOCC(=O)O.C(COCCO)O

DOS

IR

Vibrations