Geometry & MOs

Info

ID:	181114
PubChem CID:	76715626
Reduced:	FN3O6C40H50 (1)
Stoich.:	AB3C6D40E50 (1)
Weight, g/mol:	278.168208
ΔH_f, kcal/mol:	-264.32
Dipole, Da:	6.42
IP(EA), eV:	-8.57(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluoro-5-methylphenyl)methyl]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)C(C)(C)C

DOS

IR

Vibrations