Geometry & MOs

Info

ID:	418396
PubChem CID:	135104523
Reduced:	O2N3C20H33 (1)
Stoich.:	A2B3C20D33 (1)
Weight, g/mol:	289.092578
ΔH_f, kcal/mol:	-89.14
Dipole, Da:	1.92
IP(EA), eV:	-8.84(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1CC[C@]2(CCCN([C@@H]2C1)CC3=CC(=CN3C)C(=O)C)CO

DOS

IR

Vibrations