Geometry & MOs

Info

ID:	294352
PubChem CID:	117454077
Reduced:	BrClFNOC9H10 (1)
Stoich.:	ABCDEF9G10 (1)
Weight, g/mol:	282.029501
ΔH_f, kcal/mol:	-73.42
Dipole, Da:	3.19
IP(EA), eV:	-9.46(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)-2-oxoacetic acid

Drug info:

PubChemData

Smile

CNCC(C1=CC(=C(C(=C1)Br)Cl)F)O

DOS

IR

Vibrations