Geometry & MOs

Info

ID:	289670
PubChem CID:	104365146
Reduced:	BrON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	250.076057
ΔH_f, kcal/mol:	2.12
Dipole, Da:	4.04
IP(EA), eV:	-8.63(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N1CC2=CC(=CC3=C2OCC3)Br)C

DOS

IR

Vibrations