Geometry & MOs

Info

ID:	411014
PubChem CID:	135083819
Reduced:	LiO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	214.156895
ΔH_f, kcal/mol:	-170.99
Dipole, Da:	5.77
IP(EA), eV:	-8.88(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,3R)-1-(5,5-dimethyl-1,3-dioxan-2-yl)hex-4-en-3-ol

Drug info:

PubChemData

Smile

[Li+].C/C=C\[C@@H](CCC1OCC(CO1)(C)C)[O-]

DOS

IR

Vibrations