Geometry & MOs

Info

ID:	289614
PubChem CID:	104360331
Reduced:	ClNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	301.0136
ΔH_f, kcal/mol:	-61.49
Dipole, Da:	3.86
IP(EA), eV:	-8.71(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylethanamine

Drug info:

PubChemData

Smile

CC(C)CCC(C)NCC1=CC(=CC2=C1OCC2)Cl

DOS

IR

Vibrations