Geometry & MOs

Info

ID:	356854
PubChem CID:	127292446
Reduced:	FO3N4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	392.222369
ΔH_f, kcal/mol:	-126.79
Dipole, Da:	2.25
IP(EA), eV:	-9.11(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations