Geometry & MOs

Info

ID:	298165
PubChem CID:	117647872
Reduced:	O3C7H11 (2)
Stoich.:	A3B7C11 (2)
Weight, g/mol:	314.209324
ΔH_f, kcal/mol:	-279.21
Dipole, Da:	1.85
IP(EA), eV:	-10.29(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3,5-trimethylcyclohexyl) 2-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1(COC(OC1)(C)C)OC(=O)C(=C)C

DOS

IR

Vibrations