Geometry & MOs

Info

ID:	340395
PubChem CID:	127262406
Reduced:	O3C7H12 (1)
Stoich.:	A3B7C12 (1)
Weight, g/mol:	144.078644
ΔH_f, kcal/mol:	-139.26
Dipole, Da:	1.59
IP(EA), eV:	-9.56(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-hydroxyprop-2-enyl] butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations