Geometry & MOs

Info

ID:	289629
PubChem CID:	104361559
Reduced:	BrNOC17H24 (1)
Stoich.:	ABCD17E24 (1)
Weight, g/mol:	339.04701
ΔH_f, kcal/mol:	-45.92
Dipole, Da:	2.97
IP(EA), eV:	-8.63(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCNC1CCCCC1CC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations