Geometry & MOs

Info

ID:	10712
PubChem CID:	107060
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-154.12
Dipole, Da:	2.62
IP(EA), eV:	-10.32(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-3-oxohexanoate

Drug info:

PubChemData

Smile

CCCC(=O)C(CC)C(=O)OC

DOS

IR

Vibrations