Geometry & MOs

Info

ID:	319267
PubChem CID:	126655487
Reduced:	FO4N7H28C29 (1)
Stoich.:	AB4C7D28E29 (1)
Weight, g/mol:	249.195346
ΔH_f, kcal/mol:	-92.01
Dipole, Da:	7.64
IP(EA), eV:	-8.62(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[1-(1H-pyrazol-5-yl)piperidin-3-yl]piperazine

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)N5CCC6(C5)CCNC6=O

DOS

IR

Vibrations