Geometry & MOs

Info

ID:	384581
PubChem CID:	134977254
Reduced:	O4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	643.172426
ΔH_f, kcal/mol:	-4.92
Dipole, Da:	5.57
IP(EA), eV:	-9.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COCCOCOC12CCC=C1C#CC(=O)/C=C\C#CC2

DOS

IR

Vibrations