Geometry & MOs

Info

ID:	304531
PubChem CID:	124756177
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	331.169605
ΔH_f, kcal/mol:	-58.75
Dipole, Da:	5.76
IP(EA), eV:	-8.64(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCN1CCCC1=O)[C@@H](COC)C2=CC=CC=N2

DOS

IR

Vibrations