Geometry & MOs

Info

ID:	178717
PubChem CID:	76372944
Reduced:	O5C24H34 (1)
Stoich.:	A5B24C34 (1)
Weight, g/mol:	400.224974
ΔH_f, kcal/mol:	-157.31
Dipole, Da:	2.24
IP(EA), eV:	-9.56(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC=CCC=CCCCC(C#CC#CCCC(=O)OCC1COC(O1)(C)C)O

DOS

IR

Vibrations