Geometry & MOs

Info

ID:	31009
PubChem CID:	854086
Reduced:	SO2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	208.076726
ΔH_f, kcal/mol:	-52.3
Dipole, Da:	1.3
IP(EA), eV:	-8.94(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(5-chloro-1H-indol-3-yl)propan-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\1/CCCN1CC(=S)N)/C#N

DOS

IR

Vibrations