Geometry & MOs

Info

ID:	285003
PubChem CID:	104089679
Reduced:	BrClNC11H11 (1)
Stoich.:	ABCD11E11 (1)
Weight, g/mol:	216.078644
ΔH_f, kcal/mol:	57.5
Dipole, Da:	3.32
IP(EA), eV:	-8.52(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pent-4-ynoxy-1-benzofuran-3-one

Drug info:

PubChemData

Smile

C#CCCCNC1=C(C=C(C=C1)Cl)Br

DOS

IR

Vibrations