Geometry & MOs

Info

ID:	341285
PubChem CID:	127263832
Reduced:	BrFNOH5C9 (1)
Stoich.:	ABCDE5F9 (1)
Weight, g/mol:	221.048821
ΔH_f, kcal/mol:	-23.89
Dipole, Da:	3.27
IP(EA), eV:	-9.31(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-6-(1,3-oxazol-2-yl)benzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)Br)C2=NC=CO2

DOS

IR

Vibrations