Geometry & MOs

Info

ID:	260921
PubChem CID:	103209563
Reduced:	FNOC4H7 (2)
Stoich.:	ABCD4E7 (2)
Weight, g/mol:	295.150761
ΔH_f, kcal/mol:	-180.86
Dipole, Da:	4.17
IP(EA), eV:	-9.47(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(azetidin-3-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

C1C(CN1)NC(=O)CCOCC(F)F

DOS

IR

Vibrations