Geometry & MOs

Info

ID:	76686
PubChem CID:	48425245
Reduced:	F3N3O4C17H24 (1)
Stoich.:	A3B3C4D17E24 (1)
Weight, g/mol:	335.156909
ΔH_f, kcal/mol:	-303.57
Dipole, Da:	4.89
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCNC(=O)C2=CC=CO2

DOS

IR

Vibrations