Geometry & MOs

Info

ID:	83568
PubChem CID:	49857977
Reduced:	ON3C14H14 (2)
Stoich.:	AB3C14D14 (2)
Weight, g/mol:	496.170179
ΔH_f, kcal/mol:	63.86
Dipole, Da:	4.81
IP(EA), eV:	-8.8(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;methanesulfonic acid;hydrate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCCC(C1)CC2=C3C=CN=C3N4C(=N2)C(=CN4)C5=CN=C(C=C5)C6=CC=CC=C6)O

DOS

IR

Vibrations