Geometry & MOs

Info

ID:	76517
PubChem CID:	48425031
Reduced:	O2F3N4C18H29 (1)
Stoich.:	A2B3C4D18E29 (1)
Weight, g/mol:	326.181727
ΔH_f, kcal/mol:	-235.34
Dipole, Da:	6.89
IP(EA), eV:	-8.62(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)(C)C)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations