Geometry & MOs

Info

ID:	220341
PubChem CID:	85177314
Reduced:	O5C12H22 (1)
Stoich.:	A5B12C22 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-242.44
Dipole, Da:	4.95
IP(EA), eV:	-9.9(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylpent-2-en-3-yl 3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=C)C(CC(CO)O)(C1COC(O1)(C)C)O

DOS

IR

Vibrations