Geometry & MOs

Info

ID:	289656
PubChem CID:	104363773
Reduced:	BrNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	337.10413
ΔH_f, kcal/mol:	-42.94
Dipole, Da:	3.32
IP(EA), eV:	-8.57(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1(CCCN1)CC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations