Geometry & MOs

Info

ID:	76567
PubChem CID:	48425094
Reduced:	N2O3F4C18H24 (1)
Stoich.:	A2B3C4D18E24 (1)
Weight, g/mol:	336.127247
ΔH_f, kcal/mol:	-318.85
Dipole, Da:	1.5
IP(EA), eV:	-8.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCOC2=CC=C(C=C2)F

DOS

IR

Vibrations