Geometry & MOs

Info

ID:	320691
PubChem CID:	126662548
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	-34.97
Dipole, Da:	2.33
IP(EA), eV:	-8.14(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-7-(but-2-ynoxymethyl)-2,3-dihydro-1-benzofuran

Drug info:

PubChemData

Smile

CCCCCCC1=CC2=C(C(=C1)OCC#C)OCC2

DOS

IR

Vibrations