Geometry & MOs

Info

ID:	150831
PubChem CID:	53790527
Reduced:	O5C32H44 (1)
Stoich.:	A5B32C44 (1)
Weight, g/mol:	408.287574
ΔH_f, kcal/mol:	-225.43
Dipole, Da:	4.3
IP(EA), eV:	-8.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-5-octadec-9-enoyl-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)OC(=O)C(C)(C)C)OC(C)(C)C)OC(C)(C)C

DOS

IR

Vibrations