Geometry & MOs

Info

ID:	21881
PubChem CID:	593028
Reduced:	O4C9H14 (1)
Stoich.:	A4B9C14 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	-174.98
Dipole, Da:	3.56
IP(EA), eV:	-10.52(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-ethyl-3-methylbut-2-enedioate

Drug info:

PubChemData

Smile

CCC(=C(C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations