Geometry & MOs

Info

ID:	124428
PubChem CID:	50883034
Reduced:	BrO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-122.63
Dipole, Da:	2.7
IP(EA), eV:	-8.94(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-chloro-2-methoxy-3,6-dimethylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC(=C1C)Br)C)OC

DOS

IR

Vibrations