Geometry & MOs

Info

ID:	289615
PubChem CID:	104360333
Reduced:	BrNOSC12H16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	325.06774
ΔH_f, kcal/mol:	-16.64
Dipole, Da:	3.61
IP(EA), eV:	-8.57(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CSCCNCC1=CC(=CC2=C1OCC2)Br

DOS

IR

Vibrations