Geometry & MOs

Info

ID:	339130
PubChem CID:	127260509
Reduced:	O2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	338.011264
ΔH_f, kcal/mol:	-125.46
Dipole, Da:	1.6
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetyl-4,6-dichloro-3-methoxyphenyl) benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)OC)C(=O)C)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations