Geometry & MOs

Info

ID:	385571
PubChem CID:	134979439
Reduced:	OC4H5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	138.06808
ΔH_f, kcal/mol:	-62.22
Dipole, Da:	4.77
IP(EA), eV:	-9.65(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-octa-2,4-dien-6-yne-1,8-diol

Drug info:

PubChemData

Smile

C=C/C=C\[C@@H]1CCC(=O)O1

DOS

IR

Vibrations