Geometry & MOs

Info

ID:	347098
PubChem CID:	127271602
Reduced:	FN3O4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	387.12642
ΔH_f, kcal/mol:	-208.77
Dipole, Da:	2.64
IP(EA), eV:	-9.09(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfonyl-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations