Geometry & MOs

Info

ID:	205156
PubChem CID:	80061867
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	296.13472
ΔH_f, kcal/mol:	-58.2
Dipole, Da:	3.15
IP(EA), eV:	-8.21(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-2-(1H-indol-2-ylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

C1CC2(CC(C1N)SC3=CC4=CC=CC=C4N3)OCCO2

DOS

IR

Vibrations