Geometry & MOs

Info

ID:	339131
PubChem CID:	127260510
Reduced:	ClO2H6C8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	298.120509
ΔH_f, kcal/mol:	-121.59
Dipole, Da:	3.88
IP(EA), eV:	-9.06(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetyl-3-methoxy-4,6-dimethylphenyl) benzoate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=CC(=C1OC(=O)C2=CC=CC=C2)Cl)Cl)OC

DOS

IR

Vibrations