Geometry & MOs

Info

ID:	294318
PubChem CID:	117452882
Reduced:	BrNF2O2C9H10 (1)
Stoich.:	ABC2D2E9F10 (1)
Weight, g/mol:	280.96876
ΔH_f, kcal/mol:	-145.43
Dipole, Da:	1.79
IP(EA), eV:	-9.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-5-methylphenyl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1F)Br)C(CO)N)F

DOS

IR

Vibrations