Geometry & MOs

Info

ID:	76607
PubChem CID:	48425140
Reduced:	N2F3O3C19H25 (1)
Stoich.:	A2B3C3D19E25 (1)
Weight, g/mol:	415.171891
ΔH_f, kcal/mol:	-272.45
Dipole, Da:	3.72
IP(EA), eV:	-8.69(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-oxo-3-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)CC(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations