Geometry & MOs

Info

ID:	319298
PubChem CID:	126655553
Reduced:	FO2N3H12C13 (2)
Stoich.:	AB2C3D12E13 (2)
Weight, g/mol:	171.08079
ΔH_f, kcal/mol:	-137.36
Dipole, Da:	2.99
IP(EA), eV:	-9.02(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-1H-pyrazol-5-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=C(C(=N4)N5CCC(C5)O)F

DOS

IR

Vibrations