Geometry & MOs

Info

ID:	76734
PubChem CID:	48425303
Reduced:	F3N3O3C20H24 (1)
Stoich.:	A3B3C3D20E24 (1)
Weight, g/mol:	391.171891
ΔH_f, kcal/mol:	-219.99
Dipole, Da:	3.85
IP(EA), eV:	-8.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=C(/C#N)\C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations