Geometry & MOs

Info

ID:	202648
PubChem CID:	79705599
Reduced:	FNSC16H20 (1)
Stoich.:	ABCD16E20 (1)
Weight, g/mol:	237.098749
ΔH_f, kcal/mol:	-13.13
Dipole, Da:	1.6
IP(EA), eV:	-8.69(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-fluoro-5-(propan-2-ylsulfanylmethyl)phenyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)SCC2=CC(=CC(=C2)F)C#CCN

DOS

IR

Vibrations