Geometry & MOs

Info

ID:	26611
PubChem CID:	793509
Reduced:	NO2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-77.38
Dipole, Da:	3.73
IP(EA), eV:	-8.79(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)[C@@](C)(C#CCN1CCCCC1)OC(=O)C

DOS

IR

Vibrations