Geometry & MOs

Info

ID:	357423
PubChem CID:	127294056
Reduced:	O2F3N4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-145.33
Dipole, Da:	4.07
IP(EA), eV:	-8.83(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyclopentylpiperazine-1-carbonyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=NOC(=N4)C(F)(F)F

DOS

IR

Vibrations