Geometry & MOs

Info

ID:	421881
PubChem CID:	135116767
Reduced:	O3N4C17H24 (1)
Stoich.:	A3B4C17D24 (1)
Weight, g/mol:	338.119734
ΔH_f, kcal/mol:	-83.66
Dipole, Da:	2.6
IP(EA), eV:	-8.91(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-6-fluoro-3-methylbenzoyl)-1-cyclopentylpiperazin-2-one

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN(C)CC(=O)NC2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations