Geometry & MOs

Info

ID:	418034
PubChem CID:	135103358
Reduced:	N4O4C21H26 (1)
Stoich.:	A4B4C21D26 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-103.92
Dipole, Da:	5.53
IP(EA), eV:	-8.44(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC=C(C=N1)C(=O)N2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC

DOS

IR

Vibrations