Geometry & MOs

Info

ID:	319230
PubChem CID:	126655387
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	0.11
Dipole, Da:	3.55
IP(EA), eV:	-8.43(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpyrazol-3-yl)-3-hydroxy-3-methylpiperidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(C[C@H](N1C2=NN(C=C2)CC3=CC=CC=C3)C)O

DOS

IR

Vibrations