Geometry & MOs

Info

ID:	76565
PubChem CID:	48425091
Reduced:	N2F3O3C16H27 (1)
Stoich.:	A2B3C3D16E27 (1)
Weight, g/mol:	403.117747
ΔH_f, kcal/mol:	-312.74
Dipole, Da:	3.63
IP(EA), eV:	-8.86(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(OC1)CCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations