Geometry & MOs

Info

ID:	373149
PubChem CID:	131310734
Reduced:	BrO2F4H5C9 (1)
Stoich.:	AB2C4D5E9 (1)
Weight, g/mol:	299.9409
ΔH_f, kcal/mol:	-256.29
Dipole, Da:	4.36
IP(EA), eV:	-10.37(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-3-fluoro-2-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1C(F)(F)F)Br)F

DOS

IR

Vibrations