Geometry & MOs

Info

ID:	289666
PubChem CID:	104364798
Reduced:	BrClNOC16H21 (1)
Stoich.:	ABCDE16F21 (1)
Weight, g/mol:	273.994589
ΔH_f, kcal/mol:	-46.43
Dipole, Da:	5.75
IP(EA), eV:	-8.81(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl-trifluoroboranuide

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCCl)CC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations