Geometry & MOs

Info

ID:	295068
PubChem CID:	117514723
Reduced:	ClNO2F4C14H14 (1)
Stoich.:	ABC2D4E14F14 (1)
Weight, g/mol:	338.97424
ΔH_f, kcal/mol:	-277.74
Dipole, Da:	3.12
IP(EA), eV:	-9.51(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)C2=CC3=C(C=C2Cl)OC(C(O3)(F)F)(F)F

DOS

IR

Vibrations