Geometry & MOs

Info

ID:	20563
PubChem CID:	584617
Reduced:	O5C13H14 (1)
Stoich.:	A5B13C14 (1)
Weight, g/mol:	250.084124
ΔH_f, kcal/mol:	-184.65
Dipole, Da:	5.17
IP(EA), eV:	-9.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(4-methoxyphenyl)-3,5-dioxopentanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CC(=O)CC(=O)OC

DOS

IR

Vibrations