Geometry & MOs

Info

ID:	76632
PubChem CID:	48425171
Reduced:	F3O3N4C18H27 (1)
Stoich.:	A3B3C4D18E27 (1)
Weight, g/mol:	399.176976
ΔH_f, kcal/mol:	-261.28
Dipole, Da:	5.72
IP(EA), eV:	-9.19(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-oxo-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-2-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CCCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations