Geometry & MOs

Info

ID:	415645
PubChem CID:	135088644
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	321.098806
ΔH_f, kcal/mol:	-170.59
Dipole, Da:	4.28
IP(EA), eV:	-8.37(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43)O

DOS

IR

Vibrations