Geometry & MOs

Info

ID:	124426
PubChem CID:	50883032
Reduced:	BrO4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	314.01537
ΔH_f, kcal/mol:	-153.57
Dipole, Da:	1.74
IP(EA), eV:	-9.68(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxy-3-bromo-5-tert-butylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)OC(=O)C)C(=O)O

DOS

IR

Vibrations