Geometry & MOs

Info

ID:	124891
PubChem CID:	50901622
Reduced:	OSC4H4 (2)
Stoich.:	ABC4D4 (2)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-17.63
Dipole, Da:	3.46
IP(EA), eV:	-8.69(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-2-[1-[(1R)-1-phenylethyl]piperidin-2-ylidene]acetate

Drug info:

PubChemData

Smile

CSC(=S)CC(=O)C1=CC=CO1

DOS

IR

Vibrations