Geometry & MOs

Info

ID:	296903
PubChem CID:	117600276
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	327.98588
ΔH_f, kcal/mol:	-159.26
Dipole, Da:	3.51
IP(EA), eV:	-10.32(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-fluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)CC(=O)O)C(C)(C)C

DOS

IR

Vibrations