Geometry & MOs

Info

ID:	196051
PubChem CID:	78773338
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	383.167891
ΔH_f, kcal/mol:	-175.68
Dipole, Da:	6.34
IP(EA), eV:	-9.37(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N)NC(=O)C1=CC=C(C=C1)OCC2CCCO2

DOS

IR

Vibrations