Geometry & MOs

Info

ID:	371803
PubChem CID:	131271716
Reduced:	BrFNOC11H15 (1)
Stoich.:	ABCDE11F15 (1)
Weight, g/mol:	295.93457
ΔH_f, kcal/mol:	-85.58
Dipole, Da:	2.41
IP(EA), eV:	-9.41(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-6-hydroxy-3-iodobenzoate

Drug info:

PubChemData

Smile

CC(C)C[C@H](C1=C(C=CC(=C1O)F)Br)N

DOS

IR

Vibrations