Geometry & MOs

Info

ID:	399615
PubChem CID:	135041246
Reduced:	O3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	235.087138
ΔH_f, kcal/mol:	-237.62
Dipole, Da:	2.0
IP(EA), eV:	-10.33(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)C(C)([C@@H]1C=C[C@@H]1C(=O)OC)C(=O)OCC

DOS

IR

Vibrations