Geometry & MOs

Info

ID:	249589
PubChem CID:	103090665
Reduced:	FNOSC13H18 (1)
Stoich.:	ABCDE13F18 (1)
Weight, g/mol:	313.126713
ΔH_f, kcal/mol:	-82.06
Dipole, Da:	2.95
IP(EA), eV:	-8.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCCC1C[C@H](C2=C(O1)C=CC(=C2)F)N

DOS

IR

Vibrations