Geometry & MOs

Info

ID:	181016
PubChem CID:	76715527
Reduced:	FN3O6C36H42 (1)
Stoich.:	AB3C6D36E42 (1)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-241.38
Dipole, Da:	3.83
IP(EA), eV:	-8.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoro-3-methylanilino)non-8-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C12CC1C=CCCCCCC(C(=O)N3CC(CC3C(=O)C2)OC(=O)N4CC5=C(C4)C(=CC=C5)F)NC6=CC=CC=C6

DOS

IR

Vibrations