Geometry & MOs

Info

ID:	293466
PubChem CID:	117390368
Reduced:	BrOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	255.034314
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	1.81
IP(EA), eV:	-9.31(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C=C2Br)CCO

DOS

IR

Vibrations