Geometry & MOs

Info

ID:	330289
PubChem CID:	127247276
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	317.153955
ΔH_f, kcal/mol:	6.98
Dipole, Da:	3.44
IP(EA), eV:	-9.55(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-4-methoxyphenyl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C(C)C)C(=O)N2CCCCC2C3=CC=NN3

DOS

IR

Vibrations