Geometry & MOs

Info

ID:	319206
PubChem CID:	126655303
Reduced:	FO4N6C27H27 (1)
Stoich.:	AB4C6D27E27 (1)
Weight, g/mol:	167.105862
ΔH_f, kcal/mol:	-101.02
Dipole, Da:	3.7
IP(EA), eV:	-8.68(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-pyrazol-5-yl)piperidin-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=CC(=N4)N5CCCC(C5)O

DOS

IR

Vibrations