Geometry & MOs

Info

ID:	406314
PubChem CID:	135077220
Reduced:	O6C13H18 (1)
Stoich.:	A6B13C18 (1)
Weight, g/mol:	406.214409
ΔH_f, kcal/mol:	-249.01
Dipole, Da:	2.16
IP(EA), eV:	-10.32(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzoyloxydodec-2-ynyl benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=C(C(C(=O)C1)(C(=O)OC)O)C

DOS

IR

Vibrations