Geometry & MOs

Info

ID:	405370
PubChem CID:	135073697
Reduced:	O4C12H13 (2)
Stoich.:	A4B12C13 (2)
Weight, g/mol:	320.162374
ΔH_f, kcal/mol:	-283.3
Dipole, Da:	3.56
IP(EA), eV:	-9.07(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-8-acetyloxy-2-hydroxy-8-phenyloct-6-enoate

Drug info:

PubChemData

Smile

COC(=O)C(C/C=C/C(C1=CC=CC=C1)OC(=O)OC)(CC2=CC=C(C=C2)O)C(=O)OC

DOS

IR

Vibrations