Geometry & MOs

Info

ID:	249142
PubChem CID:	103087190
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	213.098749
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	3.86
IP(EA), eV:	-8.65(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-(4-methylsulfanylbutyl)aniline

Drug info:

PubChemData

Smile

CSCCCCNC1=CC=CC2=C1C(=O)NNC2=O

DOS

IR

Vibrations