Geometry & MOs

Info

ID:	341815
PubChem CID:	127264508
Reduced:	NaSC6O7H15 (1)
Stoich.:	ABC6D7E15 (1)
Weight, g/mol:	205.06697
ΔH_f, kcal/mol:	-371.75
Dipole, Da:	12.42
IP(EA), eV:	-7.21(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])O)O)O)O.O.O.[Na+]

DOS

IR

Vibrations