Geometry & MOs

Info

ID:	371851
PubChem CID:	131275419
Reduced:	ClO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	212.006264
ΔH_f, kcal/mol:	-138.75
Dipole, Da:	2.23
IP(EA), eV:	-9.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C=C1C)Cl)O

DOS

IR

Vibrations