Geometry & MOs

Info

ID:	304061
PubChem CID:	124491882
Reduced:	NSO3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	0.98
IP(EA), eV:	-8.53(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-(4-methoxyphenyl)-3-piperidin-1-ylpropanoate

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)CC(=O)C3=CC(=C(C=C32)OC)OC

DOS

IR

Vibrations