Geometry & MOs

Info

ID:	76462
PubChem CID:	48424955
Reduced:	N2F3O3C21H29 (1)
Stoich.:	A2B3C3D21E29 (1)
Weight, g/mol:	370.207942
ΔH_f, kcal/mol:	-277.5
Dipole, Da:	2.96
IP(EA), eV:	-8.95(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyethoxy)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CC(C(OC1)C2=CC=CC=C2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations