Geometry & MOs

Info

ID:	198771
PubChem CID:	79148409
Reduced:	FSN2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	284.078348
ΔH_f, kcal/mol:	-25.16
Dipole, Da:	2.84
IP(EA), eV:	-9.33(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-(quinolin-8-ylmethylsulfanyl)aniline

Drug info:

PubChemData

Smile

CC(CCC1=NC2=C(S1)C=C(C=C2)F)CCN

DOS

IR

Vibrations