Geometry & MOs

Info

ID:	18081
PubChem CID:	537464
Reduced:	O4C9H14 (1)
Stoich.:	A4B9C14 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	-189.1
Dipole, Da:	3.39
IP(EA), eV:	-10.15(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,7-dioxooctanoate

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)CCC(=O)OC

DOS

IR

Vibrations