Geometry & MOs

Info

ID:	11188
PubChem CID:	111610
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-25.66
Dipole, Da:	2.16
IP(EA), eV:	-10.15(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexyl-1,3-dioxacyclohept-5-yne

Drug info:

PubChemData

Smile

CCCCCCC1OCC#CCO1

DOS

IR

Vibrations