Geometry & MOs

Info

ID:	76678
PubChem CID:	48425231
Reduced:	O2F3N4C17H21 (1)
Stoich.:	A2B3C4D17E21 (1)
Weight, g/mol:	388.160992
ΔH_f, kcal/mol:	-188.45
Dipole, Da:	7.1
IP(EA), eV:	-8.63(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CN3C=CC=CC3=N2

DOS

IR

Vibrations