Geometry & MOs

Info

ID:	76437
PubChem CID:	48424925
Reduced:	N2F3O3C20H27 (1)
Stoich.:	A2B3C3D20E27 (1)
Weight, g/mol:	365.138483
ΔH_f, kcal/mol:	-253.08
Dipole, Da:	4.76
IP(EA), eV:	-8.84(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-thiazol-2-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC1COC2=CC=C(C=C2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations