Geometry & MOs

Info

ID:	184028
PubChem CID:	77102324
Reduced:	NO3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-140.32
Dipole, Da:	3.98
IP(EA), eV:	-8.75(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(3-propoxypiperidin-1-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

CCCOC1CCCN(C1)CC=C(CC)C(=O)OC

DOS

IR

Vibrations