Geometry & MOs

Info

ID:	257739
PubChem CID:	103148423
Reduced:	BrOF3N3C12H19 (1)
Stoich.:	ABC3D3E12F19 (1)
Weight, g/mol:	321.074341
ΔH_f, kcal/mol:	-181.65
Dipole, Da:	2.42
IP(EA), eV:	-9.34(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-1-benzofuran-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

CCCN1C(=C(C=N1)Br)C(CCOCC(F)(F)F)NC

DOS

IR

Vibrations