Geometry & MOs

Info

ID:	389529
PubChem CID:	134993491
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	258.110338
ΔH_f, kcal/mol:	-130.38
Dipole, Da:	3.81
IP(EA), eV:	-9.7(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl 2-[(E)-prop-1-enyl]propane-1,1,3-tricarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]12CCCC[C@H](C1=O)CCC2

DOS

IR

Vibrations