Geometry & MOs

Info

ID:	76425
PubChem CID:	48424907
Reduced:	O2F3N4C17H27 (1)
Stoich.:	A2B3C4D17E27 (1)
Weight, g/mol:	356.192292
ΔH_f, kcal/mol:	-225.07
Dipole, Da:	5.87
IP(EA), eV:	-8.95(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations