Geometry & MOs

Info

ID:	48589
PubChem CID:	11108730
Reduced:	O3H16C18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	283.92959
ΔH_f, kcal/mol:	-64.82
Dipole, Da:	6.39
IP(EA), eV:	-9.15(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-(trifluoromethoxy)benzoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(OC(=O)C2)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations