Geometry & MOs

Info

ID:	416
PubChem CID:	2736
Reduced:	O5C24H44 (1)
Stoich.:	A5B24C44 (1)
Weight, g/mol:	412.318875
ΔH_f, kcal/mol:	-208.18
Dipole, Da:	4.99
IP(EA), eV:	-9.94(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-hexadecyl-6-methoxy-3H-1,2-dioxin-3-yl)acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC1(C=CC(OO1)CC(=O)OC)OC

DOS

IR

Vibrations