Geometry & MOs

Info

ID:	385076
PubChem CID:	134978268
Reduced:	O2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	296.198759
ΔH_f, kcal/mol:	-30.25
Dipole, Da:	1.04
IP(EA), eV:	-9.66(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(oxan-2-yloxy)dodec-4-ynoic acid

Drug info:

PubChemData

Smile

CCCCCC#CC/C=C\CC#CCOC1CCCCO1

DOS

IR

Vibrations