Geometry & MOs

Info

ID:	126071
PubChem CID:	50950393
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	379.118651
ΔH_f, kcal/mol:	-69.11
Dipole, Da:	4.22
IP(EA), eV:	-9.14(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenoxy)-1-[2-(2-oxocyclopentyl)acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC3=C(N=C(S3)COC)C

DOS

IR

Vibrations