Geometry & MOs

Info

ID:	392463
PubChem CID:	135016808
Reduced:	ClO5H17C20 (1)
Stoich.:	AB5C17D20 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-162.33
Dipole, Da:	1.23
IP(EA), eV:	-9.86(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3R)-3-ethyl-2-(1H-indol-3-yl)piperidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H](C2=CC=CC=C2C1=O)O)CC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations