Geometry & MOs

Info

ID:	2628
PubChem CID:	8092
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-56.88
Dipole, Da:	3.44
IP(EA), eV:	-11.01(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl oct-2-ynoate

Drug info:

PubChemData

Smile

CCCCCC#CC(=O)OC

DOS

IR

Vibrations