Geometry & MOs

Info

ID:	10823
PubChem CID:	108289
Reduced:	SN2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	245.111245
ΔH_f, kcal/mol:	47.47
Dipole, Da:	4.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.798430
Charge, e:	1

Chem-info

IUPAC name:

3-(pyrrolidin-1-ium-1-ylidenemethylsulfanylmethyl)-1H-indole

Drug info:

PubChemData

Smile

C1CC[N+](=CSCC2=CNC3=CC=CC=C32)C1

DOS

IR

Vibrations