Geometry & MOs

Info

ID:	76774
PubChem CID:	48425362
Reduced:	O2F3N3C20H24 (1)
Stoich.:	A2B3C3D20E24 (1)
Weight, g/mol:	403.171891
ΔH_f, kcal/mol:	-188.18
Dipole, Da:	6.13
IP(EA), eV:	-8.85(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C(/C#N)\C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations