Geometry & MOs

Info

ID:	337927
PubChem CID:	127258550
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-124.66
Dipole, Da:	3.4
IP(EA), eV:	-9.82(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-(4-methylphenyl)prop-2-enyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC1=CC=CC(C1=O)(C)C

DOS

IR

Vibrations