Geometry & MOs

Info

ID:	412170
PubChem CID:	135085044
Reduced:	O4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-169.57
Dipole, Da:	3.25
IP(EA), eV:	-10.12(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethyl-5-pent-2-ynyl-1,3-dioxan-5-yl)acetaldehyde

Drug info:

PubChemData

Smile

CCOC(C)OC(C)(C)C#CC(=O)OC(C)C

DOS

IR

Vibrations