Geometry & MOs

Info

ID:	260849
PubChem CID:	103206857
Reduced:	ClNO2F3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	294.086764
ΔH_f, kcal/mol:	-208.46
Dipole, Da:	6.08
IP(EA), eV:	-8.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2-dihydroacenaphthylen-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=C(C=C2)Cl)C(=O)COCC(F)(F)F

DOS

IR

Vibrations