Geometry & MOs

Info

ID:	304062
PubChem CID:	124491945
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-116.98
Dipole, Da:	3.22
IP(EA), eV:	-8.64(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H](C1=CC=C(C=C1)OC)N2CCCCC2

DOS

IR

Vibrations