Geometry & MOs

Info

ID:	178716
PubChem CID:	76372943
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	402.240624
ΔH_f, kcal/mol:	-9.79
Dipole, Da:	1.9
IP(EA), eV:	-9.52(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 8-hydroxyoctadeca-12,15-dien-4,6-diynoate

Drug info:

PubChemData

Smile

CCC=CCC=CCCCC(C#C)O

DOS

IR

Vibrations