Geometry & MOs

Info

ID:	76541
PubChem CID:	48425060
Reduced:	N2F3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	393.223926
ΔH_f, kcal/mol:	-284.17
Dipole, Da:	4.05
IP(EA), eV:	-8.97(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC(C)C(=O)N2CCN(CC2)CCCOCC(F)(F)F)C

DOS

IR

Vibrations