Geometry & MOs

Info

ID:	86491
PubChem CID:	49886113
Reduced:	S2O3N4C24H28 (1)
Stoich.:	A2B3C4D24E28 (1)
Weight, g/mol:	485.22071
ΔH_f, kcal/mol:	-54.87
Dipole, Da:	7.03
IP(EA), eV:	-8.85(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

ethyl 5-(2-hydroxy-3-piperidin-1-ylpropoxy)-2-methyl-1-(4-methylphenyl)indole-3-carboxylate;chloride

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC(=C1)C(=O)OCC)SC2=NN=C(N2CC)CSC3=CC=CC=C3

DOS

IR

Vibrations