Geometry & MOs

Info

ID:	340383
PubChem CID:	127262394
Reduced:	ClNO2C22H30 (1)
Stoich.:	ABC2D22E30 (1)
Weight, g/mol:	339.219829
ΔH_f, kcal/mol:	-73.08
Dipole, Da:	2.45
IP(EA), eV:	-8.75(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-phenyl-4-piperidin-1-ylbut-2-ynyl) cyclohexanecarboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)OC(C#CCN2CCCCC2)C3=CC=CC=C3.Cl

DOS

IR

Vibrations