Geometry & MOs

Info

ID:	260848
PubChem CID:	103206851
Reduced:	BrF3O4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	305.043041
ΔH_f, kcal/mol:	-283.92
Dipole, Da:	3.41
IP(EA), eV:	-9.24(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-1-methylindol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(=O)COCC(F)(F)F)OC)Br

DOS

IR

Vibrations