Geometry & MOs

Info

ID:	21233
PubChem CID:	587750
Reduced:	O4C9H14 (1)
Stoich.:	A4B9C14 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	-185.71
Dipole, Da:	1.7
IP(EA), eV:	-10.46(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-ethyl 1-O-methyl 3-methylpent-2-enedioate

Drug info:

PubChemData

Smile

CCOC(=O)CC(=CC(=O)OC)C

DOS

IR

Vibrations