Geometry & MOs

Info

ID:	76737
PubChem CID:	48425307
Reduced:	SN2O2F3C14H25 (1)
Stoich.:	AB2C2D3E14F25 (1)
Weight, g/mol:	334.186813
ΔH_f, kcal/mol:	-261.03
Dipole, Da:	5.36
IP(EA), eV:	-8.57(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-cyclopropyl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]but-2-en-1-one

Drug info:

PubChemData

Smile

CCCSCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations