Geometry & MOs

Info

ID:	145691
PubChem CID:	53571909
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	340.098998
ΔH_f, kcal/mol:	-31.06
Dipole, Da:	5.71
IP(EA), eV:	-9.1(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-5-methyloxolan-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(CNC(=O)N2CCC(CC2)N3C=CN=C3)C4=CC=CO4

DOS

IR

Vibrations