Geometry & MOs

Info

ID:	76738
PubChem CID:	48425309
Reduced:	N2O2F3C16H25 (1)
Stoich.:	A2B2C3D16E25 (1)
Weight, g/mol:	359.182062
ΔH_f, kcal/mol:	-233.43
Dipole, Da:	2.58
IP(EA), eV:	-8.65(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methylpyridin-3-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C/C(=C/C(=O)N1CCN(CC1)CCCOCC(F)(F)F)/C2CC2

DOS

IR

Vibrations