Geometry & MOs

Info

ID:	10822
PubChem CID:	108285
Reduced:	OSN2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	261.106159
ΔH_f, kcal/mol:	8.59
Dipole, Da:	2.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.078824
Charge, e:	1

Chem-info

IUPAC name:

4-[1H-indol-3-yl(methylsulfanyl)methylidene]morpholin-4-ium

Drug info:

PubChemData

Smile

CSC(=[N+]1CCOCC1)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations