Geometry & MOs

Info

ID:	294509
PubChem CID:	117465183
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	288.060943
ΔH_f, kcal/mol:	-61.4
Dipole, Da:	2.58
IP(EA), eV:	-9.49(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-carboxy-1-cyclopropylethyl)-2,3,6-trifluorobenzoic acid

Drug info:

PubChemData

Smile

COCC1=C(C(=CC(=C1)Br)C2(CCC2)N)F

DOS

IR

Vibrations