Geometry & MOs

Info

ID:	324120
PubChem CID:	126676954
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	437.220223
ΔH_f, kcal/mol:	-172.62
Dipole, Da:	4.9
IP(EA), eV:	-8.96(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,4R)-4-[4-[2-(2-oxocyclopentyl)ethoxy]phenyl]piperidin-3-yl]methoxy]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=C(C1)CO)C2=CC=C(C=C2)OC

DOS

IR

Vibrations