Geometry & MOs

Info

ID:	382576
PubChem CID:	134973823
Reduced:	O3C17H26 (1)
Stoich.:	A3B17C26 (1)
Weight, g/mol:	298.250795
ΔH_f, kcal/mol:	-131.21
Dipole, Da:	4.92
IP(EA), eV:	-10.02(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5R)-2,3,5,6-tetramethyloxan-4-yl]oxyoxane

Drug info:

PubChemData

Smile

CCC1=C(C(=O)OC2(C1C3CCC2(C3(C)C)C)O)CC

DOS

IR

Vibrations