Geometry & MOs

Info

ID:	304387
PubChem CID:	124576109
Reduced:	OSN2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	295.121986
ΔH_f, kcal/mol:	20.61
Dipole, Da:	1.51
IP(EA), eV:	-8.7(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(2-ethoxy-3-fluorobenzoyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1COC2=CC=CC=C2N1CC3=NC=CS3

DOS

IR

Vibrations