Geometry & MOs

Info

ID:	146472
PubChem CID:	53695805
Reduced:	ON3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	282.126737
ΔH_f, kcal/mol:	64.7
Dipole, Da:	7.06
IP(EA), eV:	-9.42(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-2-fluorooctanoyl]oxybenzoic acid

Drug info:

PubChemData

Smile

CCCCN1C(=CC(=N1)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4

DOS

IR

Vibrations