Geometry & MOs

Info

ID:	283347
PubChem CID:	103976205
Reduced:	FSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	324.08373
ΔH_f, kcal/mol:	-111.42
Dipole, Da:	3.47
IP(EA), eV:	-9.48(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)F)N

DOS

IR

Vibrations