Geometry & MOs

Info

ID:	186547
PubChem CID:	77443967
Reduced:	OSN2C22H24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	350.18167
ΔH_f, kcal/mol:	24.98
Dipole, Da:	6.3
IP(EA), eV:	-8.56(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-methylpyrrolidin-2-yl)methyl]-5-(2-phenylsulfanylethyl)-1H-indole

Drug info:

PubChemData

Smile

CN1CCCC1C(=O)C2=CNC3=C2C=C(C=C3)CCSC4=CC=CC=C4

DOS

IR

Vibrations