Geometry & MOs

Info

ID:	216210
PubChem CID:	85085895
Reduced:	O5C12H18 (1)
Stoich.:	A5B12C18 (1)
Weight, g/mol:	242.115424
ΔH_f, kcal/mol:	-196.23
Dipole, Da:	2.42
IP(EA), eV:	-10.84(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-(4-oxopent-2-enoyloxy)pentanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C(CC#C)C(=O)OCC)O

DOS

IR

Vibrations