Geometry & MOs

Info

ID:	386814
PubChem CID:	134983019
Reduced:	O2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	414.040189
ΔH_f, kcal/mol:	-163.84
Dipole, Da:	2.65
IP(EA), eV:	-9.56(0.43)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H](/C=C\C(=C)C)C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations