Geometry & MOs

Info

ID:	294912
PubChem CID:	117504990
Reduced:	BrFO5H10C11 (1)
Stoich.:	ABC5D10E11 (1)
Weight, g/mol:	319.97965
ΔH_f, kcal/mol:	-218.6
Dipole, Da:	5.44
IP(EA), eV:	-9.23(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C(C1=C(C=C2C(=C1Br)OCCO2)F)O

DOS

IR

Vibrations