Geometry & MOs

Info

ID:	55281
PubChem CID:	17389997
Reduced:	NSO2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	242.098604
ΔH_f, kcal/mol:	-51.9
Dipole, Da:	3.49
IP(EA), eV:	-8.63(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCC2)N3C=CC=C3

DOS

IR

Vibrations