Geometry & MOs

Info

ID:	76668
PubChem CID:	48425217
Reduced:	O2F3N4C19H23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	381.223926
ΔH_f, kcal/mol:	-179.55
Dipole, Da:	3.25
IP(EA), eV:	-9.0(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-oxo-6-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]hexyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CN=CN2C3=CC=CC=C3

DOS

IR

Vibrations