Geometry & MOs

Info

ID:	235270
PubChem CID:	92304315
Reduced:	NO2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	386.220557
ΔH_f, kcal/mol:	-164.96
Dipole, Da:	2.87
IP(EA), eV:	-8.2(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-(4-ethoxy-1-propylindole-2-carbonyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C1C(=O)N3CCC[C@@H](C3)C(=O)OCC)C(=CC=C2)OCC

DOS

IR

Vibrations