Geometry & MOs

Info

ID:	226871
PubChem CID:	87558712
Reduced:	NOC7H11 (1)
Stoich.:	ABC7D11 (1)
Weight, g/mol:	338.151809
ΔH_f, kcal/mol:	-31.5
Dipole, Da:	1.69
IP(EA), eV:	-9.05(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4E,6E)-1-acetyloxytetradeca-4,6-dien-8,10,12-triyn-3-yl] (E)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

C1CCC(=C=O)[C@@H](C1)N

DOS

IR

Vibrations