Geometry & MOs

Info

ID:	330294
PubChem CID:	127247281
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	321.104418
ΔH_f, kcal/mol:	-61.61
Dipole, Da:	2.89
IP(EA), eV:	-9.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-fluorophenyl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2C3=CC=NN3

DOS

IR

Vibrations