Geometry & MOs

Info

ID:	319317
PubChem CID:	126655634
Reduced:	FO2N3C14H14 (2)
Stoich.:	AB2C3D14E14 (2)
Weight, g/mol:	199.11209
ΔH_f, kcal/mol:	-156.96
Dipole, Da:	1.49
IP(EA), eV:	-8.68(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CN(CCC1F)C2=NN(C=C2)C3=CC(=NC4=C3C(=O)N(C4)C(=O)OC(C)(C)C)C5=C(C=CC=C5F)C#N)O

DOS

IR

Vibrations