Geometry & MOs

Info

ID:	2643
PubChem CID:	8137
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-61.82
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 non-2-ynoate

Drug info:

PubChemData

Smile

CCCCCCC#CC(=O)OC

DOS

IR

Vibrations