Geometry & MOs

Info

ID:	23031
PubChem CID:	601090
Reduced:	O3C7H8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	280.094688
ΔH_f, kcal/mol:	-245.53
Dipole, Da:	3.28
IP(EA), eV:	-9.26(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetyloxy-3-(4-acetyloxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)CC(C(=O)OC)OC(=O)C

DOS

IR

Vibrations