Geometry & MOs

Info

ID:	399411
PubChem CID:	135040147
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	238.19328
ΔH_f, kcal/mol:	-89.05
Dipole, Da:	2.09
IP(EA), eV:	-9.94(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R,6S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane

Drug info:

PubChemData

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C[C@@]12CCC[C@]13[C@@](C3(C=C)C(=O)OC)(C(=O)C2)C

DOS

IR

Vibrations