Geometry & MOs

Info

ID:	124427
PubChem CID:	50883033
Reduced:	BrO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	286.02046
ΔH_f, kcal/mol:	-168.9
Dipole, Da:	1.59
IP(EA), eV:	-9.66(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1Br)C(C)(C)C)C(=O)O

DOS

IR

Vibrations