Geometry & MOs

Info

ID:	386121
PubChem CID:	134980830
Reduced:	OC11H13 (2)
Stoich.:	AB11C13 (2)
Weight, g/mol:	313.204179
ΔH_f, kcal/mol:	-31.44
Dipole, Da:	2.21
IP(EA), eV:	-9.54(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2R)-1-phenyl-2-piperidin-1-ylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C=C)[C@H](C(=O)C1=CC=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations