Geometry & MOs

Info

ID:	76584
PubChem CID:	48425117
Reduced:	N2F3O3C21H29 (1)
Stoich.:	A2B3C3D21E29 (1)
Weight, g/mol:	417.187541
ΔH_f, kcal/mol:	-278.07
Dipole, Da:	1.33
IP(EA), eV:	-8.63(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(furan-2-yl)-N-[3-oxo-3-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC=C(C=C2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations