Geometry & MOs

Info

ID:	76693
PubChem CID:	48425254
Reduced:	N2F3O3C19H27 (1)
Stoich.:	A2B3C3D19E27 (1)
Weight, g/mol:	385.161326
ΔH_f, kcal/mol:	-273.92
Dipole, Da:	5.78
IP(EA), eV:	-8.8(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethoxy]benzonitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations