Geometry & MOs

Info

ID:	337863
PubChem CID:	127258486
Reduced:	FO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-114.46
Dipole, Da:	1.82
IP(EA), eV:	-9.45(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-(2-formylphenyl)prop-2-enyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC/C=C/C1=CC=CC=C1F

DOS

IR

Vibrations