Geometry & MOs

Info

ID:	295036
PubChem CID:	117512478
Reduced:	BrFO4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	332.02594
ΔH_f, kcal/mol:	-188.37
Dipole, Da:	5.95
IP(EA), eV:	-9.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2,4,5-trimethoxyphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1O)F)C2(CCCC2)C(=O)O)Br

DOS

IR

Vibrations