Geometry & MOs

Info

ID:	398493
PubChem CID:	135033514
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	322.120509
ΔH_f, kcal/mol:	-136.81
Dipole, Da:	1.87
IP(EA), eV:	-9.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzoyloxymethyl)penta-2,4-dienyl benzoate

Drug info:

PubChemData

Smile

CCC(=O)OCCC=CC(=C)COC(=O)C1=CC=CC=C1

DOS

IR

Vibrations