Geometry & MOs

Info

ID:	324253
PubChem CID:	126677238
Reduced:	IPN2O4C7H8 (1)
Stoich.:	ABC2D4E7F8 (1)
Weight, g/mol:	197.116427
ΔH_f, kcal/mol:	-145.08
Dipole, Da:	0.77
IP(EA), eV:	-9.77(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-methoxy-1-(1H-pyrazol-5-yl)piperidin-3-ol

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=NN1PI)C(=O)OC

DOS

IR

Vibrations