Geometry & MOs

Info

ID:	406379
PubChem CID:	135077396
Reduced:	CoO5C9H11 (2)
Stoich.:	AB5C9D11 (2)
Weight, g/mol:	242.167065
ΔH_f, kcal/mol:	-388.19
Dipole, Da:	40.46
IP(EA), eV:	-9.86(-6.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-ethyl-1-phenylnon-2-en-4-yn-1-ol

Drug info:

PubChemData

Smile

CCOC(C#CC(OCC)OCC)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

DOS

IR

Vibrations