Geometry & MOs

Info

ID:	76506
PubChem CID:	48425013
Reduced:	ClN2F3O3C18H24 (1)
Stoich.:	AB2C3D3E18F24 (1)
Weight, g/mol:	375.176976
ΔH_f, kcal/mol:	-277.79
Dipole, Da:	2.74
IP(EA), eV:	-8.97(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-ethoxypyridin-3-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)COCC2=CC=CC=C2Cl

DOS

IR

Vibrations