Geometry & MOs

Info

ID:	419680
PubChem CID:	135108695
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	345.155178
ΔH_f, kcal/mol:	-68.24
Dipole, Da:	4.74
IP(EA), eV:	-9.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-(4,4,4-trifluorobutyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C(=O)N2CCCN(CC2)C(=O)CCC3=NNC(=O)C=C3

DOS

IR

Vibrations