Geometry & MOs

Info

ID:	319295
PubChem CID:	126655549
Reduced:	O3N4C12H18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	197.116427
ΔH_f, kcal/mol:	-116.28
Dipole, Da:	2.35
IP(EA), eV:	-8.88(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC2=C1C=NN2)C(=O)N

DOS

IR

Vibrations