Geometry & MOs

Info

ID:	416423
PubChem CID:	135089436
Reduced:	FNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-169.15
Dipole, Da:	6.12
IP(EA), eV:	-9.6(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[(2-phenylpyrazol-3-yl)methyl]-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1F)C(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations