Geometry & MOs

Info

ID:	408226
PubChem CID:	135080988
Reduced:	ClO4C9H9 (1)
Stoich.:	AB4C9D9 (1)
Weight, g/mol:	301.98038
ΔH_f, kcal/mol:	-120.03
Dipole, Da:	1.62
IP(EA), eV:	-9.52(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(iodomethyl)-2,3-dihydro-1-benzofuran-5-yl]ethanone

Drug info:

PubChemData

Smile

COC(=C(C(=O)OC)Cl)C1=CC=CO1

DOS

IR

Vibrations