Geometry & MOs

Info

ID:	319229
PubChem CID:	126655386
Reduced:	FO4N6C29H31 (1)
Stoich.:	AB4C6D29E31 (1)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	-116.5
Dipole, Da:	2.72
IP(EA), eV:	-8.78(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6R)-1-(1-benzylpyrazol-3-yl)-2,6-dimethylpiperidin-4-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC(C[C@H](N1C2=NN(C=C2)C3=CC(=NC4=C3C(=O)N(C4)C(=O)OC(C)(C)C)C5=C(C=CC=C5F)C#N)C)O

DOS

IR

Vibrations