Geometry & MOs

Info

ID:	289652
PubChem CID:	104363676
Reduced:	BrNOSC16H24 (1)
Stoich.:	ABCDE16F24 (1)
Weight, g/mol:	369.0762
ΔH_f, kcal/mol:	-42.87
Dipole, Da:	3.39
IP(EA), eV:	-8.48(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine

Drug info:

PubChemData

Smile

CCC(C)SCC(CC1=CC(=CC2=C1OCC2)Br)NC

DOS

IR

Vibrations