Geometry & MOs

Info

ID:	410845
PubChem CID:	135083646
Reduced:	ClON2C8H15 (1)
Stoich.:	ABC2D8E15 (1)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-31.43
Dipole, Da:	6.24
IP(EA), eV:	-8.5(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyloxyhex-4-ynyl acetate

Drug info:

PubChemData

Smile

CN(C)/C=C(/C=[N+](C)C)\C=O.[Cl-]

DOS

IR

Vibrations