Geometry & MOs

Info

ID:	76751
PubChem CID:	48425328
Reduced:	F3O3N4C19H27 (1)
Stoich.:	A3B3C4D19E27 (1)
Weight, g/mol:	403.171891
ΔH_f, kcal/mol:	-254.55
Dipole, Da:	3.93
IP(EA), eV:	-8.81(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=C(N=CC=C2)N3CCOCC3

DOS

IR

Vibrations