Geometry & MOs

Info

ID:	76514
PubChem CID:	48425026
Reduced:	N2F3O3C21H31 (1)
Stoich.:	A2B3C3D21E31 (1)
Weight, g/mol:	391.171891
ΔH_f, kcal/mol:	-286.06
Dipole, Da:	6.33
IP(EA), eV:	-8.85(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCCOCCC2=CC=CC=C2

DOS

IR

Vibrations