Geometry & MOs

Info

ID:	249586
PubChem CID:	103090649
Reduced:	SO2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	297.156264
ΔH_f, kcal/mol:	-68.79
Dipole, Da:	2.81
IP(EA), eV:	-8.7(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-2-(3-methylsulfanylpropyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

Drug info:

PubChemData

Smile

CSCCCC1CC(=O)C2=CC=CC=C2O1

DOS

IR

Vibrations