Geometry & MOs

Info

ID:	415405
PubChem CID:	135088399
Reduced:	NO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-163.36
Dipole, Da:	5.34
IP(EA), eV:	-8.78(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-1-(3-phenylpropanoyl)-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)N1CCC2(CC1)C3=CC(=C(C=C3CCO2)OC)OC)N

DOS

IR

Vibrations