Geometry & MOs

Info

ID:	230277
PubChem CID:	87570561
Reduced:	O2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	513.179679
ΔH_f, kcal/mol:	-155.49
Dipole, Da:	6.26
IP(EA), eV:	-9.48(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-benzyl-3-[(3R,4R)-3,4-dimethyl-4-[3-(trifluoromethylsulfonyloxy)phenyl]piperidin-1-yl]propanoate

Drug info:

PubChemData

Smile

CC/C(=C(/C)\C(=O)O)/OCCOC=C

DOS

IR

Vibrations